SCHEMBL2961027

SCHEMBL2961027

O=C(O)c1cccc2oc(-c3ccncc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.54
IDO1 P14902 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HTR3A P46098 1/20 0.45
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL28926584 0.91 TOP2A (0.59) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL206074 0.90 TOP2A (0.51) TOP2AHTR3ADHODHALDH1A1MAPT
SCHEMBL121325 0.89 TOP2A (0.65) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL206244 0.88 PKN1 (0.52) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL16383496 0.85 TOP2A (0.54) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL122514 0.84 ALDH1A1 (0.55) TOP2ADHODHALDH1A1MAPTKDM4E
SCHEMBL120321 0.84 HTR3A (0.54) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL121392 0.84 HTR3A (0.54) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL205351 0.84 TOP2A (0.53) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL206232 0.84 TOP2A (0.56) TOP2AIDO1MAOAMAOBHTR3A

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 1421/4885IDO1 573/4885MAOA 1366/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885IDO1 573/4885MAOA 1366/4885

“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.