SCHEMBL2962341

SCHEMBL2962341

O=C(O)c1cccc2oc(-c3ccccc3Br)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.55
KMT2A Q03164 3/20 0.47
C1R P00736 1/20 0.47
TP53 P04637 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NFKB1 P19838 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
IDO1 P14902 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 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
SCHEMBL2959863 0.84 TOP2A (0.70) TOP2AKMT2ASMN1; SMN2HPGDHSD17B10
SCHEMBL121763 0.83 TOP2A (0.55) TOP2AKMT2AC1RTP53MAPT
SCHEMBL120317 0.83 TOP2A (0.55) TOP2AKMT2AC1RTP53MAPT
SCHEMBL3401507 0.83 TOP2A (0.58) TOP2ATP53MAPTSMN1; SMN2RAB9A
SCHEMBL14367754 0.82 TOP2A (0.75) TOP2AKMT2ASMN1; SMN2HPGDHSD17B10
SCHEMBL121325 0.80 TOP2A (0.65) TOP2AKMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL2954782 0.80 TOP2A (0.55) TOP2AKMT2ATP53MAPTSMN1; SMN2
SCHEMBL2959889 0.80 TOP2A (0.61) TOP2AKMT2AC1RTP53MAPT
SCHEMBL2962706 0.80 TOP2A (0.55) TOP2AKMT2ARAB9ANPC1ALDH1A1
SCHEMBL442097 0.80 TOP2A (0.52) TOP2AC1RHPGDALDH1A1KDM4E

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 1421/4885KMT2A 3780/4885C1R 3507/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885KMT2A 3780/4885C1R 3507/4885

“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.