Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4626293

Cc1cc(N2CCC(NC(=N)N(C)C)C2)ccc1N.Cl

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.40
HRH3 known ✓ Q9Y5N1 1/20 0.34
DRD2 known ✓ P14416 1/20 0.33
DRD3 known ✓ P35462 1/20 0.33
RAD52 P43351 1/20 0.40
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HRH4 Q9H3N8 7/20 0.35
LGMN Q99538 1/20 0.34
EED O75530 2/20 0.34
MDM4 O15151 1/20 0.33
THRB P10828 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
NOTUM Q6P988 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4626282 1.00 GAA (0.40) GAARAD52MTNR1AMTNR1BHRH4
SCHEMBL2126973 0.99 GAA (0.41) GAARAD52MTNR1AMTNR1BHRH4
Hydrochloric Acid SCHEMBL4627803 0.87 GAA (0.43) GAARAD52MTNR1AMTNR1BHRH4
Hydrochloric Acid SCHEMBL4627790 0.87 GAA (0.43) GAARAD52MTNR1AMTNR1BHRH4
SCHEMBL2126969 0.85 GAA (0.44) GAARAD52MTNR1AMTNR1BHRH4
Hydrochloric Acid SCHEMBL4625068 0.85 KDM4E (0.38) GAARAD52MTNR1AMTNR1BHRH4
SCHEMBL2127975 0.84 GFER (0.38) GAARAD52MTNR1AMTNR1BHRH4
SCHEMBL6504795 0.77 GAA (0.51) GAARAD52HRH4LGMN
SCHEMBL7242505 0.75 SUV39H2 (0.50) SUV39H2
Hydrochloric Acid SCHEMBL5383213 0.74 RAD52 (0.50) GAARAD52LGMNTHRBSUV39H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428515-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; methods and uses OREAL (FR) 2008-07-02 EP claimed
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses L'OREAL (FR) 2004-12-16 US claimed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof L'OREAL (FR) 2004-11-18 US claimed
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 US claimed
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof L'OREAL (FR) 2004-11-04 US claimed
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof L'OREAL (FR) 2004-10-28 US claimed
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses L'OREAL (FR) 2004-12-16 US disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof L'OREAL (FR) 2004-11-18 US disclosed
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 US disclosed
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2004-11-11 US disclosed
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses L'OREAL (FR) 2004-11-04 US disclosed
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses L'OREAL (FR) 2004-11-04 US disclosed
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses L'OREAL (FR) 2004-11-04 US disclosed
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof L'OREAL (FR) 2004-11-04 US disclosed
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof L'OREAL (FR) 2004-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses KRT18, DPM1, DSG1 GAA 2383/4885HRH3 428/4885DRD2 305/4885
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses KRT18, PLIN5, PLIN1 GAA 4515/4885HRH3 285/4885DRD2 631/4885
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses KRT18, CDC73, NUP205 GAA 4611/4885HRH3 343/4885DRD2 988/4885
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof KRT18, PPHLN1, PKLR GAA 4341/4885HRH3 465/4885DRD2 961/4885
US-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses KRT18, CDC73, PPHLN1 GAA 4764/4885HRH3 526/4885DRD2 1163/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 GAA 4728/4885HRH3 149/4885DRD2 356/4885
US-20040216243-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a surfactant, processes therefor and uses thereof KRT18, NOTUM, PHOSPHO1 GAA 3878/4885HRH3 750/4885DRD2 981/4885
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses KRT18, CDC73, DDC GAA 4540/4885HRH3 762/4885DRD2 85/4885
US-20040226109-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol, process therefor and use thereof FARSB, PARN, PKLR GAA 1898/4885HRH3 711/4885DRD2 139/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 GAA 4874/4885HRH3 99/4885DRD2 611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.