SCHEMBL1008094

SCHEMBL1008094

COC(=O)c1cccc2oc(N3CCN(c4ncccn4)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.47
POLB P06746 1/20 0.45
HTR3A P46098 3/20 0.44
KCNH2 Q12809 2/20 0.44
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
PIK3CB P42338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 1/20 0.41
SLC6A7 Q99884 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1007229 0.87 HTR6 (0.52) TOP2AHTR3AKCNH2ALDH1A1PIK3CB
SCHEMBL1005978 0.86 HCAR2 (0.47) HTR3AKCNH2PARP1ALDH1A1RAB9A
SCHEMBL1006005 0.86 TOP2A (0.50) TOP2AHTR3AKCNH2ALDH1A1RAB9A
SCHEMBL1004911 0.85 HTR3A (0.59) TOP2AHTR3AKCNH2ALDH1A1PIK3CB
SCHEMBL1005890 0.84 TOP2A (0.48) TOP2AHTR3AKCNH2ALDH1A1PIK3CB
SCHEMBL1080222 0.83 HTR6 (0.48) TOP2AHTR3AKCNH2ALDH1A1GAA
SCHEMBL1007867 0.83 ALDH1A1 (0.48) TOP2AHTR3AKCNH2ALDH1A1PIK3CB
SCHEMBL1007287 0.82 HTR3A (0.48) TOP2AHTR3AKCNH2HSD17B10GAA
SCHEMBL1005315 0.81 TOP2A (0.42) TOP2AHTR3AKCNH2PIK3CBGAA
SCHEMBL1006464 0.81 TOP2A (0.46) TOP2APOLBHTR3AKCNH2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO 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 (1 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TOP2A 323/4885POLB 1879/4885HTR3A 3/4885

“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.