SCHEMBL2964419

SCHEMBL2964419

O=C(O)c1ccc(Br)c2oc(-c3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.52
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.42
IKBKB O14920 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NPC1 O15118 1/20 0.41
ESR2 Q92731 1/20 0.41
PTPN1 P18031 1/20 0.41
AKR1C4 P17516 1/20 0.41

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
SCHEMBL15071013 0.78 RXFP1 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDPPARG
SCHEMBL22439182 0.76 NQO2 (0.49) RAB9ASMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL2961273 0.76 SMN1; SMN2 (0.49) DHODHRAB9ASMN1; SMN2HIF1AGAA
SCHEMBL121325 0.74 TOP2A (0.65) DHODHRAB9ASMN1; SMN2HIF1AGAA
SCHEMBL2954868 0.74 RAB9A (0.54) DHODHRAB9ASMN1; SMN2HIF1AGAA
SCHEMBL121400 0.71 DHODH (0.94) DHODHRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL206173 0.71 RARA (0.56) DHODHRAB9ASMN1; SMN2IKBKBALDH1A1
SCHEMBL29390984 0.70 DHODH (0.58) DHODHRAB9ASMN1; SMN2HIF1AALDH1A1
SCHEMBL13865468 0.70 DHODH (0.58) DHODHRAB9ASMN1; SMN2HIF1AALDH1A1
SCHEMBL2791619 0.70 IKBKB (0.54) DHODHRAB9ASMN1; SMN2GAAIKBKB

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 DHODH 2821/4885RAB9A 3002/4885SMN1; SMN2 4403/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A DHODH 2821/4885RAB9A 3002/4885SMN1; SMN2 4403/4885

“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.