SCHEMBL2963577

SCHEMBL2963577

O=C(O)c1cccc2oc(-c3cc4ccccc4s3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.52
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CA2 P00918 2/20 0.47
BCL2L1 Q07817 1/20 0.43
TOP2A P11388 2/20 0.43
MAOB P27338 2/20 0.43
IDO1 P14902 1/20 0.43
MAOA P21397 1/20 0.43
APP P05067 1/20 0.41
CA3 P07451 1/20 0.40
TSHR P16473 1/20 0.40
CA6 P23280 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL2964084 0.77 TOP2A (0.45) TOP2AMAOBIDO1MAOAALDH1A1
SCHEMBL2959895 0.76 HTR3A (0.64)
SCHEMBL2954631 0.76 KMT2A (0.47) CA1CA9CA12CA4CA5A
SCHEMBL2962481 0.76 KDM4E (0.47) TOP2AMAOBIDO1MAOAALDH1A1
SCHEMBL121325 0.76 TOP2A (0.65) IKBKBTOP2AMAOBIDO1MAOA
SCHEMBL2965259 0.76 MAOB (0.52) CA1CA9CA12CA4CA5A
SCHEMBL2961704 0.76 DHODH (0.47) TOP2AMAOBIDO1MAOAGPR35
SCHEMBL2957106 0.76 DAO (0.42) TOP2AMAOBIDO1MAOAALDH1A1
SCHEMBL29742225 0.75 IKBKB (0.51) IKBKBAPPTSHRALDH1A1ALOX5
SCHEMBL19961702 0.75 IKBKB (0.51) IKBKBAPPTSHRALDH1A1ALOX5

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-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
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 IKBKB 983/4885CA1 2263/4885CA9 1739/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A IKBKB 983/4885CA1 2263/4885CA9 1739/4885

“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.