SCHEMBL5134568

SCHEMBL5134568

O=C(NC(F)F)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 6/20 0.56
HDAC3 O15379 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
IDO1 P14902 1/20 0.54
ALOX15 P16050 1/20 0.54
HDAC1 Q13547 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
SLC1A2 P43004 1/20 0.53
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL28983041 0.83 CTRB1 (0.53) CTRB1HDAC3CA12CA1IDO1
SCHEMBL27825223 0.83 ALDH1A1 (0.54) CTRB1HDAC3CA12CA1IDO1
SCHEMBL27693084 0.83 SLC1A2 (0.55) CTRB1HDAC3CA12CA1IDO1
SCHEMBL28641833 0.81 HDAC3 (0.58) CTRB1HDAC3CA12CA1IDO1
SCHEMBL27909776 0.81 CTRB1 (0.61) CTRB1HDAC3CA12CA1IDO1
SCHEMBL8815154 0.79 CTRB1 (0.50) CTRB1HDAC3CA12CA1IDO1
SCHEMBL28118956 0.79 HDAC3 (0.56) CTRB1HDAC3CA12CA1IDO1
SCHEMBL2132047 0.78 HPGD (0.50) CTRB1HDAC3CA12CA1IDO1
SCHEMBL16094230 0.78 ALDH1A1 (0.59) CA1CA9LMNAHPGDGAA
SCHEMBL4882314 0.78 CTRB1 (0.49) CTRB1HDAC3CA12CA1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2890691-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS Principia Biopharma Inc. (US) 2015-07-08 EP claimed
WO-2014036016-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-03-06 WO claimed
CN-1791569-A Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CROPSCIENCE AG (DE) 2006-06-21 CN claimed
WO-2025132758-A1 PESTICIDALLY ACTIVE QUINAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-26 WO disclosed
CN-106661035-B The Pyrazolopyrimidine derivative of inhibitor as bruton's tyrosine kinase 洛克索肿瘤学股份有限公司 2019-11-19 CN disclosed
CN-109641854-A Integration stress access regulator 卡里科生命科学有限责任公司 2019-04-16 CN disclosed
CN-102119143-B Amide derivative, pest control agent containing the same, and method of using the pest control agent 三井化学AGRO株式会社 2017-07-21 CN disclosed
CN-106661035-A Pyrazolopyrimidine derivatives as inhibitors of bruton's tyrosine kinase 莱德克斯制药公共有限公司 2017-05-10 CN disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
CN-106536489-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2017-03-22 CN disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
CN-102341394-B Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL 2015-04-15 CN disclosed
EP-2718279-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 Rhizen Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
WO-2014036016-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-03-06 WO disclosed
WO-2012170867-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
US-8252831-B2 Imidazole-2-benzamide compounds useful for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2012-08-28 US disclosed
US-20120157506-A1 Novel Imidazole-2-Benzamide Compounds Useful for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2012-06-21 US disclosed
EP-1960350-A1 NEW N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-08-27 EP disclosed
WO-2007060162-A1 NEW N-(1-METHYL-2PHENYLETHYL)BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-05-31 WO disclosed
CN-1791569-A Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CROPSCIENCE AG (DE) 2006-06-21 CN 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-20120157506-A1 Novel Imidazole-2-Benzamide Compounds Useful for the Treatment of Osteoarthritis ARG2, HDAC6, COL2A1 CTRB1 3348/4885HDAC3 11/4885CA12 3462/4885

“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.