Hydrochloric Acid

Hydrochloric Acid

SCHEMBL384500

CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCOCC4)cc3C2)c(O)cc1O.Cl

nearest known ligand 0.80

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 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 19/20 0.80
HSP90AB1 known ✓ P08238 7/20 0.80
HDAC8 known ✓ Q9BY41 8/20 0.54
HDAC3 known ✓ O15379 8/20 0.54
HDAC6 known ✓ Q9UBN7 8/20 0.54
HDAC1 known ✓ Q13547 7/20 0.52
HDAC4 known ✓ P56524 4/20 0.51
HDAC7 known ✓ Q8WUI4 4/20 0.51
HDAC2 known ✓ Q92769 4/20 0.51
HDAC10 known ✓ Q969S8 4/20 0.51
HDAC11 known ✓ Q96DB2 4/20 0.51
HDAC9 known ✓ Q9UKV0 4/20 0.51
HDAC5 known ✓ Q9UQL6 4/20 0.51
HSP90B1 P14625 1/20 0.80

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
SCHEMBL383317 0.99 HSP90AA1 (0.81) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL13220517 0.92 HSP90AA1 (0.71) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL1206927 0.90 HSP90AA1 (0.98) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL1205801 0.90 HSP90AA1 (0.98) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL382780 0.89 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL384367 0.89 HSP90AA1 (0.85) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL29351356 0.89 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Hydrochloric Acid SCHEMBL23673784 0.88 HSP90AA1 (0.80) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Hydrochloric Acid SCHEMBL29974145 0.88 HSP90AA1 (0.80) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL1205611 0.88 HSP90AA1 (0.86) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 US disclosed
US-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
EP-2332909-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2014-10-15 EP disclosed
US-8816087-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LIMITED (GB) 2014-08-26 US disclosed
US-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-8530469-B2 Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2013-09-10 US disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 US disclosed
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 CHESSARI GIANNI 2010-08-26 US disclosed
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 US disclosed
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-7700625-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2010-04-20 US disclosed
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-03 US disclosed
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US 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 (10 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HDAC8 266/4885
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS HSP90AB1, HEATR6, HEATR1 HSP90AA1 4/4885HSP90AB1 1/4885HDAC8 566/4885
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HDAC8 160/4885
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 HSP90AA1 7/4885HSP90AB1 4/4885HDAC8 963/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HDAC8 278/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HDAC8 226/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HDAC8 278/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A HSP90AA1 105/4885HSP90AB1 49/4885HDAC8 363/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S HSP90AA1 3726/4885HSP90AB1 4036/4885HDAC8 1616/4885
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 HSP90AA1 68/4885HSP90AB1 23/4885HDAC8 398/4885

“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.