Hydrochloric Acid

Hydrochloric Acid

SCHEMBL758628

Cl.NC(CCl)(CCl)C(=O)c1ccccc1

nearest known ligand 0.47

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
PARP1 known ✓ P09874 1/20 0.41
SRC known ✓ P12931 1/20 0.39
CA2 known ✓ P00918 1/20 0.37
CES1 P23141 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
HIF1A Q16665 3/20 0.47
GSK3B P49841 2/20 0.47
TRPA1 O75762 1/20 0.47
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3132247 0.98 CES1 (0.48) CES1ALDH1A1MAPK1HIF1AGSK3B
SCHEMBL8346930 0.89 CES1 (0.44) CES1ALDH1A1MAPK1HIF1AGSK3B
Hydrochloric Acid SCHEMBL3751110 0.82 CES1 (0.48) CES1ALDH1A1MAPK1HIF1AGSK3B
Hydrochloric Acid SCHEMBL317256 0.81 CES1 (0.44) CES1ALDH1A1MAPK1HIF1AGSK3B
SCHEMBL13044333 0.79 CES1 (0.50) CES1ALDH1A1MAPK1HIF1AGSK3B
SCHEMBL4878730 0.78 SMN1; SMN2 (0.50) CES1ALDH1A1MAPK1HIF1AGSK3B
SCHEMBL3128833 0.78 CES1 (0.45) CES1ALDH1A1MAPK1HIF1AGSK3B
SCHEMBL28167005 0.78 CES1 (0.48) CES1ALDH1A1MAPK1MAPTCYP3A4
SCHEMBL8914358 0.77 CES1 (0.52) CES1ALDH1A1MAPK1HIF1AGSK3B
SCHEMBL28436856 0.75 CES1 (0.50) CES1ALDH1A1MAPK1HIF1AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959742-B1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2016-11-02 EP disclosed
US-8420572-B2 Fungicidal composition containing carboxylic acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-04-16 US disclosed
EP-1776011-B1 FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2012-03-21 EP disclosed
US-8039420-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
US-7829501-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-09 US disclosed
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-09-02 US disclosed
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases ISHIHARA SANGYO KAISHA LTD (JP) 2008-12-25 US disclosed
EP-1959742-A2 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-08-27 EP disclosed
WO-2007069777-A2 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-06-21 WO disclosed
EP-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 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 (4 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-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE CNPY2, CBR3, ACOX3 PARP1 4754/4885SRC 3662/4885CA2 109/4885
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases AADAC, NAT1, TH PARP1 4805/4885SRC 4004/4885CA2 1283/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 PARP1 4837/4885SRC 2761/4885CA2 96/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 PARP1 4837/4885SRC 2761/4885CA2 96/4885

“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.