SCHEMBL2963715

SCHEMBL2963715

O=C(O)c1cccc2oc(-c3sccc3Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
IDO1 P14902 1/20 0.44
MAOA P21397 1/20 0.44
CASP3 P42574 5/20 0.43
TOP2A P11388 2/20 0.41
PIM1 P11309 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
UTRN P46939 1/20 0.39
EIF4E P06730 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PGR P06401 1/20 0.36
AGPAT2 O15120 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL2955048 0.84 TOP2A (0.44) MAOBIDO1MAOATOP2ATSHR
SCHEMBL2953670 0.84 TOP2A (0.41) MAOBIDO1MAOACASP3TOP2A
SCHEMBL2963270 0.83 EIF4E (0.42) MAOACASP3UTRNEIF4EALDH1A1
SCHEMBL440239 0.79 JAK2 (0.51) MAOBIDO1MAOATOP2ATSHR
Hydrochloric Acid SCHEMBL7753332 0.77 MAOB (0.48) MAOBIDO1MAOATOP2ACSNK2B
SCHEMBL121763 0.77 TOP2A (0.55) MAOBIDO1MAOATOP2ATSHR
SCHEMBL2961704 0.77 DHODH (0.47) MAOBIDO1MAOATOP2AALDH1A1
SCHEMBL2961078 0.76 HTR3A (0.65)
SCHEMBL2963300 0.75 TOP2A (0.43) MAOBIDO1MAOATOP2AALDH1A1
SCHEMBL28926584 0.75 TOP2A (0.59) MAOBIDO1MAOATOP2AALDH1A1

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.