Hydrochloric Acid

Hydrochloric Acid

SCHEMBL334089

CCN(CC)CCc1c(C)c2ccc(O)cc2oc1=O.Cl

nearest known ligand 0.72

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 20)

geneUniProtsupporting neighboursconfidence
GLA known ✓ P06280 4/20 0.64
GAA known ✓ P10253 4/20 0.64
MAOA known ✓ P21397 1/20 0.50
MAOB known ✓ P27338 1/20 0.50
SRC known ✓ P12931 1/20 0.49
HSD17B3 P37058 6/20 0.72
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
ERAP1 Q9NZ08 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PKM P14618 1/20 0.55
MAPT P10636 2/20 0.52
KLK7 P49862 1/20 0.51
ATM Q13315 1/20 0.51
TP53 P04637 2/20 0.51

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
SCHEMBL1476174 0.99 HSD17B3 (0.74) HSD17B3KDM4EGLAGAAALDH1A1
Hydrochloric Acid SCHEMBL7145361 0.96 HSD17B3 (0.70) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL10794465 0.86 HSD17B3 (0.73) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL11097084 0.84 HSD17B3 (0.89) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL3767036 0.84 HSD17B3 (1.00) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL10795060 0.83 HSD17B3 (0.86) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL10791187 0.82 HSD17B3 (0.71) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL3136947 0.82 HSD17B3 (0.60) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL29944843 0.81 KDM4E (0.55) HSD17B3KDM4EGAAALDH1A1HPGD
SCHEMBL7141692 0.81 KDM4E (0.55) HSD17B3KDM4EGAAALDH1A1HPGD

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413613-B1 Detectable markers in fixers comprising cationic polymers HEWLETT PACKARD DEVELOPMENT CO (US) 2006-08-30 EP claimed
US-20050083366-A1 Detectable markers in cationic polymeric fixers IU KAI K (US) 2005-04-21 US claimed
US-6830310-B2 Detectable markers in cationic polymeric fixers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-12-14 US claimed
US-20040080557-A1 Detectable markers in cationic polymeric fixers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-04-29 US claimed
EP-1413613-A1 Detectable markers in fixers comprising cationic polymers Hewlett-Packard Development Company, L.P. (US) 2004-04-28 EP claimed
EP-1095032-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2001-05-02 EP claimed
WO-2000004008-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2000-01-27 WO claimed
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 US disclosed
EP-2235008-B1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 US disclosed
EP-1885710-B1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-08-19 EP disclosed
US-6830310-B2 Detectable markers in cationic polymeric fixers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-12-14 US disclosed
US-20040080557-A1 Detectable markers in cationic polymeric fixers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-04-29 US disclosed
EP-1413613-A1 Detectable markers in fixers comprising cationic polymers Hewlett-Packard Development Company, L.P. (US) 2004-04-28 EP disclosed
EP-1095032-B1 REAGENTS FOR CYP2D FLUORESCENT ASSAY GENTEST CORP (US) 2003-12-10 EP disclosed
EP-1095032-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2001-05-02 EP disclosed
US-6130342-A A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP GENTEST CORPORATION (US) 2000-10-10 US disclosed
WO-2000004008-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2000-01-27 WO 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 (1 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-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 GLA 658/4885GAA 953/4885MAOA 283/4885

“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.