SCHEMBL1005732

SCHEMBL1005732

O=C(O)c1cccc2oc(=O)[nH]c12.[LiH]

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.64
EPHX2 P34913 2/20 0.46
PBRM1 Q86U86 1/20 0.44
MCL1 Q07820 1/20 0.44
OGT O15294 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KEAP1 Q14145 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
SCHEMBL2482363 0.98 GRM5 (0.66) GRM5EPHX2PBRM1MCL1OGT
4-Acetyl-2-Benzoxazolinone SCHEMBL3546681 0.83 GRM5 (0.64) GRM5EPHX2MCL1OGT
Lithium Ion SCHEMBL1005730 0.81 GRM5 (0.58) GRM5EPHX2MCL1OGT
SCHEMBL1005310 0.81 PSMB8 (0.57) GRM5PBRM1TDP1KEAP1
SCHEMBL1004904 0.79 GRM5 (0.60) GRM5EPHX2
SCHEMBL465947 0.78 PBRM1 (0.54) GRM5PBRM1MCL1TDP1KEAP1
SCHEMBL27371230 0.75 GRM5 (0.53) GRM5EPHX2
SCHEMBL1137634 0.74 PSMB8 (0.61) GRM5EPHX2MCL1OGT
SCHEMBL31434922 0.73 GRM5 (0.50) GRM5
SCHEMBL3043379 0.71 MCL1 (0.49) GRM5EPHX2MCL1OGT

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-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 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 (1 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A GRM5 237/4885EPHX2 3170/4885PBRM1 4025/4885

“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.