Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1706803

Cl.Cl.O=C(/C=C/c1cnc(N[C@@H]2CCCN(CCc3cccc(F)c3)C2)cn1)NO

nearest known ligand 0.41

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
SLC6A3 known ✓ Q01959 1/20 0.41
HDAC1 known ✓ Q13547 5/20 0.40
HDAC8 known ✓ Q9BY41 5/20 0.40
HDAC6 known ✓ Q9UBN7 5/20 0.40
HDAC3 known ✓ O15379 3/20 0.40
HDAC4 known ✓ P56524 3/20 0.40
HDAC7 known ✓ Q8WUI4 3/20 0.40
HDAC2 known ✓ Q92769 3/20 0.40
HDAC10 known ✓ Q969S8 3/20 0.40
HDAC11 known ✓ Q96DB2 3/20 0.40
HDAC9 known ✓ Q9UKV0 3/20 0.40
HDAC5 known ✓ Q9UQL6 3/20 0.40
HTR2A known ✓ P28223 1/20 0.39
MAPK1 P28482 1/20 0.38
CCR3 P51677 1/20 0.38
CDK9 P50750 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37

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
Hydrochloric Acid SCHEMBL1707440 1.00 SLC6A3 (0.41) SLC6A3HDAC1HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL1706805 1.00 SLC6A3 (0.41) SLC6A3HDAC1HDAC8HDAC6HDAC3
SCHEMBL1707102 0.99 SLC6A3 (0.41) SLC6A3HDAC1HDAC8HDAC6HDAC3
SCHEMBL1707095 0.99 SLC6A3 (0.41) SLC6A3HDAC1HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL1707202 0.95 HDAC1 (0.41) SLC6A3HDAC1HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL1707198 0.95 HDAC1 (0.41) SLC6A3HDAC1HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL1707307 0.95 HDAC1 (0.41) SLC6A3HDAC1HDAC8HDAC6HDAC3
SCHEMBL1707679 0.94 HDAC1 (0.42) SLC6A3HDAC1HDAC8HDAC6HDAC3
SCHEMBL1707677 0.94 HDAC1 (0.42) SLC6A3HDAC1HDAC8HDAC6HDAC3
SCHEMBL1706817 0.91 SLC6A3 (0.43) SLC6A3MAPK1CCR3KDM4EALDH1A1

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
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP claimed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US claimed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US claimed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP claimed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 WO claimed
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP disclosed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 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 (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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 SLC6A3 4089/4885HDAC1 1/4885HDAC8 10/4885

“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.