Hydrochloric Acid

Hydrochloric Acid

SCHEMBL758627

CC(C)(N)C(=O)c1ccc(Cl)c(Cl)c1.Cl

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 20)

geneUniProtsupporting neighboursconfidence
HDAC3 known ✓ O15379 1/20 0.44
HDAC4 known ✓ P56524 1/20 0.44
HDAC1 known ✓ Q13547 1/20 0.44
HDAC7 known ✓ Q8WUI4 1/20 0.44
HDAC2 known ✓ Q92769 1/20 0.44
HDAC10 known ✓ Q969S8 1/20 0.44
HDAC11 known ✓ Q96DB2 1/20 0.44
HDAC8 known ✓ Q9BY41 1/20 0.44
HDAC6 known ✓ Q9UBN7 1/20 0.44
HDAC9 known ✓ Q9UKV0 1/20 0.44
HDAC5 known ✓ Q9UQL6 1/20 0.44
TSHR P16473 1/20 0.53
SRD5A2 P31213 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KMO O15229 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3132241 0.98 TSHR (0.55) TSHRSRD5A2MEN1KMT2AKMO
SCHEMBL15794964 0.85 TSHR (0.53) TSHRSRD5A2MEN1KMT2AKMO
SCHEMBL10877218 0.84 TSHR (0.57) TSHRSRD5A2MEN1KMT2AKMO
SCHEMBL759481 0.82 TSHR (0.55) TSHRSRD5A2MEN1KMT2AKMO
SCHEMBL1466166 0.80 TSHR (0.57) TSHRSRD5A2MEN1KMT2AKMO
Hydrochloric Acid SCHEMBL317255 0.80 CES2 (0.48) TSHRSRD5A2MEN1KMT2ASMN1; SMN2
SCHEMBL10336500 0.79 TSHR (0.61) TSHRSRD5A2MEN1KMT2AKMO
SCHEMBL18950066 0.78 TSHR (0.55) TSHRSRD5A2MEN1KMT2AKMO
SCHEMBL3128827 0.78 CES2 (0.50) TSHRSRD5A2SMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL4372370 0.75 BCAT2 (0.62) TSHRSRD5A2MEN1KMT2AKMO

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 HDAC3 194/4885HDAC4 350/4885HDAC1 215/4885
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 HDAC3 506/4885HDAC4 704/4885HDAC1 97/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 HDAC3 23/4885HDAC4 83/4885HDAC1 8/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 HDAC3 23/4885HDAC4 83/4885HDAC1 8/4885

“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.