SCHEMBL2540729

SCHEMBL2540729

COc1ccc2oc(=O)n(Cc3cccc(N(CCCN4CCN(C)CC4)C(=O)O)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.55
CD74 P04233 3/20 0.55
KMO O15229 1/20 0.47
POLB P06746 1/20 0.47
CBX7 O95931 4/20 0.47
CDYL2 Q8N8U2 4/20 0.47
CDYL Q9Y232 4/20 0.47
CDY1; CDY1B Q9Y6F8 4/20 0.47
ADRA2A P08913 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
TNIK Q9UKE5 1/20 0.44
TSPO P30536 1/20 0.42

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
SCHEMBL2543339 0.94 TNIK (0.49) MIFCD74POLBADRA2AHTR2A
SCHEMBL2540918 0.89 POLB (0.54) MIFCD74POLB
SCHEMBL2542689 0.89 SIGMAR1 (0.54) KMO
SCHEMBL2546966 0.88 TP53 (0.48) MIFPOLB
SCHEMBL2544317 0.88 MAPT (0.43) MIFPOLBHTR2A
SCHEMBL2542601 0.86 SIGMAR1 (0.42) MIFPOLB
SCHEMBL2547731 0.86 KMO (0.46) MIFCD74KMOPOLBCBX7
SCHEMBL2544331 0.86 SIGMAR1 (0.40) MIFCD74POLB
SCHEMBL3730374 0.86 MIF (0.41) MIFCD74POLB
SCHEMBL2540868 0.86 IDO1 (0.40) MIFCD74POLB

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 9 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 claimed
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 claimed
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 claimed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 WO 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2538/4885KMO 823/4885
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 MIF 1168/4885CD74 2063/4885KMO 1295/4885
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 3009/4885KMO 738/4885

“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.