Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5680197

Cl.NNc1ccnc2cc(Cl)ccc12

nearest known ligand 0.66

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
▸ GAA known ✓ P10253 2/20 0.60
▸ CYP1A2 P05177 1/20 0.66
▸ FERMT2 Q96AC1 4/20 0.63
▸ MAPT P10636 4/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ CCR1 P32246 1/20 0.62
▸ NR4A2 P43354 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ SOS2 Q07890 1/20 0.59
▸ KMT5B Q4FZB7 1/20 0.57
▸ KMT5C Q86Y97 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ PKM P14618 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL2455864 0.98 CYP1A2 (0.68) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL30028448 0.98 CYP1A2 (0.68) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL2477414 0.84 NR4A2 (0.61) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL23904649 0.81 CYP1A2 (0.68) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL12840976 0.81 CYP1A2 (0.68) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL12223738 0.80 FERMT2 (0.78) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL729361 0.79 MAPT (0.71) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL8738060 0.79 CYP1A2 (1.00) CYP1A2FERMT2KMT2ACCR1NR4A2
Hydrochloric Acid SCHEMBL20856643 0.78 NR4A2 (0.60) CYP1A2FERMT2MAPTTDP1KMT2A
SCHEMBL1147519 0.78 FERMT2 (1.00) CYP1A2FERMT2KMT2ACCR1NR4A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174633-A1 PYRAZOLE COMPOUNDS SELECTIVE FOR NEUROTENSIN 2 RECEPTOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-06-22 — — US disclosed
WO-2015148465-A1 PYRAZOLE COMPOUNDS SELECTIVE FOR NEUROTENSIN 2 RECEPTOR RESEARCH TRIANGLE INSTITUTE (US) 2015-10-01 — — WO disclosed
US-8987435-B2 Oligomeric compounds and methods ISIS PHARMACEUTICALS, INC. (US) 2015-03-24 — — US disclosed
EP-1620405-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS Abbott Laboratories (US) 2006-02-01 — — EP disclosed
US-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2005-01-27 — — US disclosed
WO-2004099154-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2004-11-18 — — WO disclosed
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2004-11-04 — — 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 (3 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-20170174633-A1 PYRAZOLE COMPOUNDS SELECTIVE FOR NEUROTENSIN 2 RECEPTOR NTSR2, NTSR1, NPFFR2 GAA 4042/4885CYP1A2 1545/4885FERMT2 335/4885
US-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 GAA 4681/4885CYP1A2 2744/4885FERMT2 1506/4885
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 GAA 4681/4885CYP1A2 2744/4885FERMT2 1506/4885

“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.

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