Benzohydroxamate

Benzohydroxamate

SCHEMBL5159232

Cl.O=C(NO)c1ccccc1

nearest known ligand 0.95

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 Benzohydroxamate. 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
HDAC8 known ✓ Q9BY41 11/20 0.95
HDAC1 known ✓ Q13547 9/20 0.95
HDAC6 known ✓ Q9UBN7 9/20 0.95
HDAC2 known ✓ Q92769 4/20 0.95
HDAC3 known ✓ O15379 2/20 0.95
HDAC7 known ✓ Q8WUI4 2/20 0.95
HDAC10 known ✓ Q969S8 1/20 0.56
CA12 O43570 1/20 0.95
CA1 P00915 1/20 0.95
IDO1 P14902 1/20 0.95
ALOX15 P16050 1/20 0.95
CA9 Q16790 1/20 0.95
HSD17B10 Q99714 1/20 0.95
NCOR2 Q9Y618 1/20 0.95

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
SCHEMBL21755109 0.97 HDAC8 (1.00) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL28895973 0.97 HDAC8 (1.00) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL28299068 0.97 HDAC8 (1.00) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL133061 0.97 HDAC8 (1.00) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL11883624 0.95 HDAC8 (0.95) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL8660923 0.95 HDAC8 (0.95) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL6419261 0.95 HDAC8 (0.95) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL21630417 0.95 HDAC8 (0.95) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL11881231 0.95 HDAC8 (0.95) HDAC8HDAC1HDAC6HDAC2HDAC3
Benzohydroxamate SCHEMBL10875530 0.95 HDAC8 (0.95) HDAC8HDAC1HDAC6HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463735-B2 Method and apparatus for adjusting corneal curvature through digital corneal crosslinking ZHEJIANG UNIVERSITY (CN) 2019-11-05 US claimed
US-20180050104-A1 METHOD AND APPARATUS FOR ADJUSTING CORNEAL CURVATURE THROUGH DIGITAL CORNEAL CROSSLINKING ZHEJIANG UNIVERSITY 2018-02-22 US claimed
CN-113166105-B Heterocyclic compounds as CDK-HDAC dual pathway inhibitors 杭州英创医药科技有限公司 2024-11-08 CN disclosed
CN-118619922-A Hydroxamic acid compound, and preparation method and application thereof 郑州大学 2024-09-10 CN disclosed
US-10463735-B2 Method and apparatus for adjusting corneal curvature through digital corneal crosslinking ZHEJIANG UNIVERSITY (CN) 2019-11-05 US disclosed
CN-109867660-A Tetrahydroisoquinoline amide compound and its medicinal usage containing quaternary ammonium ion 四川科伦博泰生物医药股份有限公司 2019-06-11 CN disclosed
CN-105814037-B N1- (the fluoro- 2- hydroxy-2-methyl propiono of 3,3,3- tri-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase 默克专利股份公司 2018-11-30 CN disclosed
US-20180050104-A1 METHOD AND APPARATUS FOR ADJUSTING CORNEAL CURVATURE THROUGH DIGITAL CORNEAL CROSSLINKING ZHEJIANG UNIVERSITY 2018-02-22 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
CN-1049660-A Aminoketone derivative and application thereof MITZUI TOATSU CHEMICALS INC (JP) 1991-03-06 CN disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 EP disclosed
US-4994474-A Hypotensive agents SANOFI (FR) 1991-02-19 US disclosed
EP-0302792-A2 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI (FR) 1989-02-08 EP disclosed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 EP disclosed
US-4376862-A INTERMEDIATE FOR ISOXAZOLO (5,4B) PYRIDINE LONZA LTD. (CH) 1983-03-15 US disclosed
US-4350816-A REACTING 3-AMINO-2,4-DICYANOCROTONIC ACID METHYL ESTER WITH A BENZOHYDROXYAMINO ACID CHLORIDE LONZA LTD. (CH) 1982-09-21 US disclosed
US-4172079-A Preparation of 4-nitroisoxazoles TEXACO INC. (US) 1979-10-23 US disclosed
US-3960862-A PHARMACOLOGICAL USE BASF AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 HDAC8 2437/4885HDAC1 755/4885HDAC6 1543/4885

“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.