SCHEMBL2964683

SCHEMBL2964683

Cc1ccc(-c2nc3c(C(=O)O)cc(Br)cc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 9/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
ATM Q13315 1/20 0.45
IKBKB O14920 2/20 0.43
DHODH Q02127 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2954868 0.87 RAB9A (0.54) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL2950895 0.85 ALDH1A1 (0.57) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2961683 0.85 ALDH1A1 (0.51) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL206232 0.80 TOP2A (0.56) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL15808786 0.79 HSD17B10 (0.44) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL3032061 0.77 TOP2A (0.63) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL205351 0.74 TOP2A (0.53) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2957095 0.74 HTR3A (0.66)
SCHEMBL2590099 0.74 SMN1; SMN2 (0.55) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL206175 0.73 SMN1; SMN2 (0.48) MAPTSMN1; SMN2RAB9ANPC1KDM4E

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 MAPT 4376/4885SMN1; SMN2 4403/4885RAB9A 3002/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A MAPT 4376/4885SMN1; SMN2 4403/4885RAB9A 3002/4885

“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.