SCHEMBL2954863

SCHEMBL2954863

COc1ccc(-c2nc3c(C(=O)O)cccc3o2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.51
AGPAT2 O15120 1/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
SLC16A3 O15427 1/20 0.44
CA6 P23280 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2964184 0.88 KDM4E (0.52) TOP2AKDM4EALDH1A1HPGDCA12
SCHEMBL2957102 0.83 AGPAT2 (0.48) TOP2AAGPAT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2957072 0.81 TOP2A (0.59) TOP2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3401507 0.81 TOP2A (0.58) TOP2AAGPAT2KDM4EALDH1A1HPGD
SCHEMBL2956730 0.78 HTR3A (0.73) HTR3A
SCHEMBL2957253 0.78 TOP2A (0.50) TOP2AAGPAT2KDM4EALDH1A1HPGD
SCHEMBL2959889 0.78 TOP2A (0.61) TOP2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2964387 0.77 HTR3A (0.77) HTR3A
SCHEMBL10731139 0.76 TOP2A (0.55) TOP2AAGPAT2KDM4EALDH1A1HPGD
SCHEMBL2955256 0.75 MYC (0.49) TOP2AAGPAT2KDM4EALDH1A1HPGD

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 TOP2A 1421/4885AGPAT2 4107/4885KDM4E 3917/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885AGPAT2 4107/4885KDM4E 3917/4885

“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.