SCHEMBL2957673

SCHEMBL2957673

O=C(O)c1cccc2oc(-c3ccco3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
IDO1 P14902 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 4/20 0.45
POLB P06746 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
GAA P10253 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ESR1 P03372 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
ELANE P08246 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TOP2A P11388 2/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL17929368 0.80 TOP2A (0.70) ALOX5ALDH1A1KDM4EHPGDPOLB
SCHEMBL28926584 0.80 TOP2A (0.59) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL121325 0.78 TOP2A (0.65) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL2965259 0.78 MAOB (0.52) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL440072 0.75 DHODH (0.49) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL440239 0.75 JAK2 (0.51) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL2955256 0.75 MYC (0.49) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL2961027 0.75 TOP2A (0.54) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL16383496 0.75 TOP2A (0.54) IDO1MAOAMAOBALDH1A1KDM4E
SCHEMBL4791688 0.74 MAOB (0.50) IDO1MAOAMAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A ALOX5 463/4885IDO1 573/4885MAOA 1366/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A ALOX5 463/4885IDO1 573/4885MAOA 1366/4885

“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.