SCHEMBL2543890

SCHEMBL2543890

O=C(O)N(C(=O)N1COc2ccccc21)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
HSD17B3 P37058 1/20 0.42
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDK1 Q15118 1/20 0.37
P2RX4 Q99571 5/20 0.36
THRB P10828 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4444354 0.79 NOTUM (0.53) NOTUMHSD17B3POLBTP53LMNA
Hydrochloric Acid SCHEMBL23320556 0.77 NOTUM (0.51) NOTUMHSD17B3POLBTP53LMNA
SCHEMBL6173541 0.74 NOTUM (0.51) NOTUMHSD17B3POLBLMNAPDK1
SCHEMBL18964807 0.71 NOTUM (0.45) NOTUMHSD17B3POLBLMNANPC1
SCHEMBL3806102 0.71 ALDH1A1 (0.40) NOTUMPOLBTP53LMNANPC1
SCHEMBL891832 0.68 NPSR1 (0.55) POLBNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6648039 0.66 NOTUM (0.73) NOTUMPOLBTP53LMNARAB9A
SCHEMBL18343579 0.65 THRB (0.47) NOTUMHSD17B3TP53LMNATHRB
SCHEMBL1695486 0.65 KMT2A (0.49) NOTUMPOLBTP53LMNANPC1
Acetic Acid SCHEMBL27604418 0.65 NOTUM (0.49) NOTUMHSD17B3POLBTP53LMNA

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 4 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-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 (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 NOTUM 3707/4885HSD17B3 3018/4885POLB 2704/4885
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 NOTUM 4190/4885HSD17B3 4241/4885POLB 1895/4885

“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.