SCHEMBL13280353

SCHEMBL13280353

COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DHODH Q02127 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
VCAM1 P19320 1/20 0.40
SERPINH1 P50454 1/20 0.40
ABL1 P00519 1/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 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
SCHEMBL505205 0.85 TDP1 (0.47) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12000739 0.84 TDP1 (0.49) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2043408 0.84 MEN1 (0.50) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13987139 0.83 ALDH1A1 (0.50) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2310798 0.83 TDP1 (0.48) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8841189 0.83 VCAM1 (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9423000 0.82 DTYMK (0.44) FLT1KDR
SCHEMBL4017244 0.82 PDGFRB (0.44) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13280445 0.82 TDP1 (0.47) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1462927 0.82 TDP1 (0.47) TDP1PDGFRBFGFR1PDGFRAFLT1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
US-10189843-B2 Fused pyrazole derivative having autotaxin inhibitory activity THE UNIVERSITY OF TOKYO (JP) 2019-01-29 US disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 US disclosed
US-9376422-B2 Dihidropyridin-2-one benzamine compounds Epizyme, Inc. (US) 2016-06-28 US disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
EP-3004096-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-04-13 EP disclosed
WO-2014195919-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-11 WO disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 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 (4 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-10189843-B2 Fused pyrazole derivative having autotaxin inhibitory activity ENPP2, PRTN3, TPX2 TDP1 913/4885PDGFRB 3115/4885FGFR1 4385/4885
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, BMI1, EZH1 TDP1 4035/4885PDGFRB 1666/4885FGFR1 1768/4885
US-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL TDP1 1398/4885PDGFRB 1212/4885FGFR1 1645/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TDP1 1398/4885PDGFRB 1212/4885FGFR1 1645/4885

“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.