SCHEMBL2964536

SCHEMBL2964536

COC(=O)c1cccc2oc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.70
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
HTR3A P46098 4/20 0.55
MAPT P10636 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.45
TP53 P04637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL206174 0.88 TOP2A (0.72) TOP2AALDH1A1LMNAHTR3AMAPT
SCHEMBL7434524 0.88 TOP2A (0.88) TOP2AALDH1A1HTR3AMAPTRAB9A
SCHEMBL2954779 0.87 TOP2A (0.70) TOP2AALDH1A1HTR3AMAPTRAB9A
SCHEMBL143232 0.87 TOP2A (0.70) TOP2AALDH1A1HTR3AMAPTRAB9A
SCHEMBL120321 0.85 HTR3A (0.54) TOP2AALDH1A1LMNAHTR3AMAPT
SCHEMBL205455 0.84 TOP2A (0.66) TOP2AALDH1A1HTR3AMAPTRAB9A
SCHEMBL28701666 0.84 TOP2A (0.66) TOP2AALDH1A1HTR3AMAPTRAB9A
SCHEMBL17929350 0.83 TOP2A (0.83) TOP2AALDH1A1HTR3AMAPTRAB9A
SCHEMBL17929361 0.83 TOP2A (0.83) TOP2AALDH1A1HTR3AMAPTRAB9A
SCHEMBL15515790 0.83 TOP2A (0.61) TOP2AALDH1A1LMNAHTR3AMAPT

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 TOP2A 1421/4885ALDH1A1 3208/4885LMNA 2708/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885ALDH1A1 3208/4885LMNA 2708/4885

“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.