Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6492502

Cl.Fc1ccc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c1F

nearest known ligand 0.53

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 10)

geneUniProtsupporting neighboursconfidence
LCK known ✓ P06239 12/20 0.53
EGFR known ✓ P00533 1/20 0.51
SRC known ✓ P12931 1/20 0.51
ADRA2A known ✓ P08913 1/20 0.41
ADRA2C known ✓ P18825 1/20 0.41
ADRA1D known ✓ P25100 1/20 0.41
ADRA1A known ✓ P35348 1/20 0.41
ADRA1B known ✓ P35368 1/20 0.41
ZAP70 P43403 1/20 0.51
PTGES O14684 7/20 0.42

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
SCHEMBL5695257 0.99 LCK (0.54) LCKEGFRSRCZAP70PTGES
Hydrochloric Acid SCHEMBL6497662 0.86 LCK (0.50) LCKEGFRSRCZAP70PTGES
SCHEMBL5695236 0.84 LCK (0.51) LCKEGFRSRCZAP70PTGES
Hydrochloric Acid SCHEMBL6489043 0.80 PTGES (0.46) LCKEGFRSRCZAP70PTGES
SCHEMBL5695246 0.78 PTGES (0.46) LCKEGFRSRCZAP70PTGES
Hydrochloric Acid SCHEMBL6492507 0.78 ADRA2A (0.41) LCKEGFRSRCZAP70PTGES
Hydrochloric Acid SCHEMBL6501404 0.77 ADRA2A (0.43) LCKEGFRSRCZAP70PTGES
Hydrochloric Acid SCHEMBL5695181 0.77 LCK (0.50) LCKEGFRSRCZAP70PTGES
SCHEMBL5695262 0.76 ADRA2A (0.42) LCKEGFRSRCZAP70PTGES
Hydrochloric Acid SCHEMBL5695285 0.76 HDAC11 (0.51) LCKEGFRSRCZAP70PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958357-B2 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-25 US disclosed
US-6686384-B2 2-ANILINOPHENYL-SUBSTITUTED; INHIBITION OF THE NA+/H+ EXCHANGER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US disclosed
US-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-10-09 US disclosed
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-19 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 (2 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-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 LCK 4175/4885EGFR 3615/4885SRC 3874/4885
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 LCK 4175/4885EGFR 3615/4885SRC 3874/4885

“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.