Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6138839

Cl.O=C(CCCCC(O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)NO

nearest known ligand 0.50

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
HRH3 known ✓ Q9Y5N1 3/20 0.50
HDAC1 known ✓ Q13547 4/20 0.45
HDAC7 known ✓ Q8WUI4 2/20 0.45
HDAC8 known ✓ Q9BY41 3/20 0.44
HDAC3 known ✓ O15379 2/20 0.44
HDAC2 known ✓ Q92769 2/20 0.44
HDAC6 known ✓ Q9UBN7 2/20 0.44
HSP90AA1 known ✓ P07900 1/20 0.44
HDAC4 known ✓ P56524 1/20 0.44
HDAC10 known ✓ Q969S8 1/20 0.44
HDAC11 known ✓ Q96DB2 1/20 0.44
HDAC5 known ✓ Q9UQL6 1/20 0.44
GAA known ✓ P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.45
NCOR2 Q9Y618 1/20 0.44
AOC3 Q16853 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 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
Hydrochloric Acid SCHEMBL6138827 1.00 HRH3 (0.50) HRH3ALDH1A1HDAC1HDAC7HDAC8
SCHEMBL6138545 0.99 HRH3 (0.51) HRH3ALDH1A1HDAC1HDAC7HDAC8
SCHEMBL6138501 0.99 HRH3 (0.51) HRH3ALDH1A1HDAC1HDAC7HDAC8
Hydrochloric Acid SCHEMBL6138898 0.89 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
Hydrochloric Acid SCHEMBL6138891 0.89 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
Hydrochloric Acid SCHEMBL6139057 0.89 HRH3 (0.48) HRH3HDAC1HDAC7HDAC8HDAC3
Hydrochloric Acid SCHEMBL6139049 0.89 HRH3 (0.48) HRH3HDAC1HDAC7HDAC8HDAC3
SCHEMBL6138887 0.88 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL6138498 0.88 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL6138863 0.88 HRH3 (0.49) HRH3HDAC1HDAC7HDAC8HDAC3

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
EP-1215203-B1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-02-16 EP disclosed
US-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-10-28 US disclosed
US-6770644-B1 Hydroxamic acid derivatives, process for the production thereof and drug containing the same as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-08-03 US disclosed
EP-1215203-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-19 EP 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-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient HIF1AN, IL6, PYGM HRH3 3134/4885HDAC1 942/4885HDAC7 591/4885

“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.