SCHEMBL2545840

SCHEMBL2545840

COc1ccc2oc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.71
CD74 P04233 4/20 0.71
IDO1 P14902 3/20 0.66
POLB P06746 2/20 0.63
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CBX7 O95931 1/20 0.53
CDYL2 Q8N8U2 1/20 0.53
CDYL Q9Y232 1/20 0.53
CDY1; CDY1B Q9Y6F8 1/20 0.53
PIK3R1 P27986 1/20 0.52
PIK3CA P42336 1/20 0.52
KMO O15229 1/20 0.51
TNIK Q9UKE5 1/20 0.50
PLA2G2A P14555 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 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
SCHEMBL29566319 0.87 MIF (0.84) MIFCD74IDO1POLBMEN1
SCHEMBL244817 0.87 MIF (0.84) MIFCD74IDO1POLBMEN1
SCHEMBL14898603 0.84 MIF (0.82) MIFCD74IDO1POLBMEN1
SCHEMBL16565537 0.83 MIF (0.76) MIFCD74POLBMEN1KMT2A
SCHEMBL3270711 0.83 MIF (1.00) MIFCD74IDO1POLBMEN1
SCHEMBL2547710 0.83 MIF (0.75) MIFCD74IDO1POLBMEN1
SCHEMBL28782675 0.80 IDO1 (0.53) MIFCD74IDO1POLBPIK3R1
SCHEMBL13981932 0.80 MIF (0.74) MIFCD74IDO1POLBMEN1
SCHEMBL18171790 0.80 IDO1 (0.79) MIFCD74IDO1POLBMEN1
SCHEMBL3629990 0.79 IDO1 (0.52) MIFCD74IDO1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431572-B2 2-oxo-3-benzylbenzoxazol-2-one derivatives and related compounds as met kinase inhibitors for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 US disclosed
US-8431572-B2 2-oxo-3-benzylbenzoxazol-2-one derivatives and related compounds as met kinase inhibitors for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 US disclosed
EP-2150551-B1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2013-01-16 EP disclosed
US-8071593-B2 2-oxo-3-benzylbenzoxazol-2-one derivatives and related compounds as Met kinase inhibitors for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-12-06 US disclosed
US-8071593-B2 2-oxo-3-benzylbenzoxazol-2-one derivatives and related compounds as Met kinase inhibitors for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-12-06 US disclosed
US-20110263596-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS SCHADT OLIVER 2011-10-27 US disclosed
US-20110263596-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS SCHADT OLIVER 2011-10-27 US disclosed
US-20100280030-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-04 US disclosed
US-20100280030-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-04 US disclosed
EP-2150551-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2010-02-10 EP disclosed
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 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 (2 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-20100280030-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS ERBB2, RET, MET MIF 1688/4885CD74 2538/4885IDO1 2135/4885
US-20110263596-A1 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS MET, RET, ERBB2 MIF 2143/4885CD74 3009/4885IDO1 2828/4885

“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.