SCHEMBL505591

SCHEMBL505591

COC(=O)c1cc(C)cc([N+](=O)[O-])c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
GPR35 Q9HC97 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 2/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6828146 0.85 GPR35 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL221958 0.84 ALDH1A1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11066620 0.84 ALDH1A1 (0.67) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL505294 0.83 KDM4E (0.57) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL505205 0.83 TDP1 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28723015 0.83 ALDH1A1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL505648 0.83 ALDH1A1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11067071 0.83 GPR35 (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL505297 0.82 KDM4E (0.58) GPR35ALDH1A1LMNATSHRKDM4E
SCHEMBL2370377 0.82 ALDH1A1 (0.68) GPR35ALDH1A1LMNATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
WO-2020188405-A1 BENZIMIDAZOLES DERIVATIVES AS ANTI-TUBERCULOSIS AGENTS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2020-09-24 WO disclosed
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 CN disclosed
CN-107922430-A 2 substituted benzimidazole, 4 Carbox amide and preparation method and application 中国科学院上海药物研究所 2018-04-17 CN disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 (5 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PDGFRB 788/4885FGFR1 3644/4885PDGFRA 1616/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PDGFRB 832/4885FGFR1 3754/4885PDGFRA 1900/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PDGFRB 788/4885FGFR1 3644/4885PDGFRA 1616/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 PDGFRB 1638/4885FGFR1 1815/4885PDGFRA 1810/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PDGFRB 788/4885FGFR1 3644/4885PDGFRA 1616/4885

“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.