Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7210817

COc1ccc(Cl)cc1C(=O)O.Cl

nearest known ligand 0.62

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 1/20 0.55
CA2 known ✓ P00918 1/20 0.53
TTR known ✓ P02766 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.62
LMNA P02545 1/20 0.59
ALDH1A1 P00352 7/20 0.57
HPGD P15428 4/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 2/20 0.55
KCNMA1 Q12791 2/20 0.55
TP53 P04637 1/20 0.55
CA1 P00915 1/20 0.53
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MYC P01106 1/20 0.51
NR4A1 P22736 1/20 0.51
POLB P06746 1/20 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
SCHEMBL30100412 0.98 MRGPRX4 (0.64) MRGPRX4LMNAALDH1A1HPGDMAPK1
SCHEMBL48961 0.98 MRGPRX4 (0.64) MRGPRX4LMNAALDH1A1HPGDMAPK1
SCHEMBL3630423 0.91 MRGPRX4 (0.58) MRGPRX4LMNAALDH1A1HPGDMAPK1
SCHEMBL30323649 0.86 TSHR (0.53) MRGPRX4LMNAALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL10574721 0.85 ALDH1A1 (0.61) MRGPRX4ALDH1A1HPGDMAPK1TDP1
SCHEMBL11306685 0.85 LMNA (0.63) LMNAALDH1A1HPGDTSHRGAA
SCHEMBL11405282 0.84 HTT (0.69) MRGPRX4ALDH1A1HPGDMAPK1TDP1
Hydrochloric Acid SCHEMBL725101 0.84 MAPT (0.58) LMNAALDH1A1MAPK1TDP1TSHR
SCHEMBL364764 0.83 ALDH1A1 (0.65) LMNAALDH1A1HPGDTSHRGAA
SCHEMBL257135 0.83 LMNA (0.61) LMNAALDH1A1HPGDTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506937-B2 Used as antiarrhythmics SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-14 US disclosed
US-20020058838-A1 Substituted benzenesulfonylureas and -thioureas-processes for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT 2002-05-16 US disclosed
US-6335467-B1 INTERMEDIATES FOR ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
US-6090981-A ANTIARRHYTHMICS. HOECHST AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-5776980-A Substituted benzenesulfonylureas and -thioureas-process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5698596-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
US-5574069-A ANTIARRHYTHMIA HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 US disclosed
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed
US-3932658-A Composition and method for lower blood sugar containing N-[4-(β-<2-methoxy-5-chloro-benzamido>-ethyl)-benzenesulfonyl]-N'-cyclopentyl-urea HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-13 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 (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-20020058838-A1 Substituted benzenesulfonylureas and -thioureas-processes for their preparation and their use as pharmaceuticals KCNH1, KCNH2, KCNH3 GAA 3722/4885CA2 1972/4885TTR 447/4885

“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.