SCHEMBL2965597

SCHEMBL2965597

O=C(O)c1cccc2oc(-c3ccsc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.49
TOP2A P11388 2/20 0.48
IKBKB O14920 1/20 0.47
MAOB P27338 2/20 0.43
IDO1 P14902 1/20 0.43
MAOA P21397 1/20 0.43
ACMSD Q8TDX5 1/20 0.41
HTR3A P46098 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TMIGD3 P0DMS9 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL28926584 0.84 TOP2A (0.59) DHODHTOP2AMAOBIDO1MAOA
SCHEMBL121325 0.82 TOP2A (0.65) DHODHTOP2AIKBKBMAOBIDO1
SCHEMBL2961027 0.81 TOP2A (0.54) DHODHTOP2AMAOBIDO1MAOA
SCHEMBL17929369 0.81 TOP2A (0.74) TOP2AIKBKBHTR3AALDH1A1TMIGD3
SCHEMBL2960023 0.80 IKBKB (0.44) DHODHTOP2AIKBKBMAOBMAOA
SCHEMBL16383496 0.78 TOP2A (0.54) DHODHTOP2AMAOBIDO1MAOA
SCHEMBL120321 0.77 HTR3A (0.54) DHODHTOP2AIKBKBMAOBIDO1
SCHEMBL121392 0.77 HTR3A (0.54) DHODHTOP2AMAOBIDO1MAOA
SCHEMBL205351 0.77 TOP2A (0.53) DHODHTOP2AMAOBIDO1MAOA
SCHEMBL206232 0.77 TOP2A (0.56) DHODHTOP2AIKBKBMAOBIDO1

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 7 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
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN 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 DHODH 2821/4885TOP2A 1421/4885IKBKB 983/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A DHODH 2821/4885TOP2A 1421/4885IKBKB 983/4885

“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.