SCHEMBL2965259

SCHEMBL2965259

O=C(O)c1cccc2oc(-c3cc4ccccc4o3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
IDO1 P14902 1/20 0.52
MAOA P21397 1/20 0.52
TSHR P16473 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
GPR35 Q9HC97 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
GALK1 P51570 1/20 0.47
TOP2A P11388 2/20 0.46

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
SCHEMBL121325 0.80 TOP2A (0.65) MAOBIDO1MAOATOP2AALDH1A1
SCHEMBL28926584 0.79 TOP2A (0.59) MAOBIDO1MAOATOP2AALDH1A1
SCHEMBL2957673 0.78 ALOX5 (0.53) MAOBIDO1MAOATOP2AALDH1A1
SCHEMBL2209825 0.77 TSHR (0.58) MAOBMAOATSHRCA12CA1
SCHEMBL2963577 0.76 IKBKB (0.52) MAOBIDO1MAOATSHRCA12
SCHEMBL2959863 0.75 TOP2A (0.70) MAOBIDO1MAOACA12CA1
SCHEMBL121763 0.74 TOP2A (0.55) MAOBIDO1MAOATSHRTOP2A
SCHEMBL2962341 0.74 TOP2A (0.55) MAOBIDO1MAOATOP2AALDH1A1
SCHEMBL120317 0.74 TOP2A (0.55) MAOBIDO1MAOAGPR35TOP2A
SCHEMBL442954 0.74 DHODH (0.49) MAOBIDO1MAOAGPR35TOP2A

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 MAOB 799/4885IDO1 573/4885MAOA 1366/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A MAOB 799/4885IDO1 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.