Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6138978

CN1CCC(c2ccc([C@H](O)CCCCC(=O)NO)cc2)CC1.Cl

nearest known ligand 0.46

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
HDAC1 known ✓ Q13547 3/20 0.46
HDAC8 known ✓ Q9BY41 3/20 0.46
HDAC3 known ✓ O15379 2/20 0.40
HDAC2 known ✓ Q92769 2/20 0.40
HDAC4 known ✓ P56524 1/20 0.40
HDAC7 known ✓ Q8WUI4 1/20 0.40
HDAC10 known ✓ Q969S8 1/20 0.40
HDAC11 known ✓ Q96DB2 1/20 0.40
HDAC6 known ✓ Q9UBN7 1/20 0.40
HDAC9 known ✓ Q9UKV0 1/20 0.40
HDAC5 known ✓ Q9UQL6 1/20 0.40
MAOA known ✓ P21397 1/20 0.39
HTR1D known ✓ P28221 6/20 0.39
HTR1B known ✓ P28222 6/20 0.39
ALDH1A1 P00352 2/20 0.43
PRCP P42785 3/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.39

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 SCHEMBL6138981 1.00 HDAC1 (0.46) HDAC1HDAC8ALDH1A1PRCPLMNA
SCHEMBL6138559 0.99 HDAC1 (0.47) HDAC1HDAC8ALDH1A1PRCPLMNA
SCHEMBL6138563 0.99 HDAC1 (0.47) HDAC1HDAC8ALDH1A1PRCPLMNA
SCHEMBL6138792 0.85 HDAC1 (0.50) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6138787 0.85 HDAC1 (0.50) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL6138539 0.85 HDAC8 (0.52) HDAC1HDAC8ALDH1A1HDAC3HDAC2
SCHEMBL6139008 0.84 HDAC1 (0.51) HDAC1HDAC8ALDH1A1HDAC3HDAC2
SCHEMBL6138895 0.84 HDAC1 (0.51) HDAC1HDAC8ALDH1A1HDAC3HDAC2
SCHEMBL6138998 0.84 HDAC1 (0.51) HDAC1HDAC8ALDH1A1HDAC3HDAC2
SCHEMBL6138450 0.84 HDAC1 (0.51) HDAC1HDAC8ALDH1A1HDAC3HDAC2

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 HDAC1 942/4885HDAC8 1134/4885HDAC3 2029/4885

“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.