SCHEMBL1004233

SCHEMBL1004233

COC(=O)c1cccc2oc(N3CCNC(=O)C3)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.46
TOP2A P11388 2/20 0.44
HTR6 P50406 5/20 0.41
KCNH2 Q12809 2/20 0.40
CRBN Q96SW2 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PARP1 P09874 2/20 0.38
PIK3CB P42338 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Lithium Ion SCHEMBL1005141 0.86 HTR3A (0.43) HTR3AHTR6KCNH2KDM4EPARP1
SCHEMBL1005143 0.86 HTR6 (0.46) HTR3AHTR6KCNH2PARP1
SCHEMBL1006005 0.81 TOP2A (0.50) HTR3ATOP2AHTR6KCNH2KDM4E
SCHEMBL1004911 0.80 HTR3A (0.59) HTR3ATOP2AKCNH2KDM4EALDH1A1
SCHEMBL1007229 0.80 HTR6 (0.52) HTR3ATOP2AHTR6KCNH2KDM4E
SCHEMBL1005127 0.79 HTR3A (0.45) HTR3ATOP2AKCNH2KDM4EALDH1A1
SCHEMBL1005128 0.79 HTR3A (0.45) HTR3ATOP2AKCNH2KDM4EALDH1A1
SCHEMBL1008094 0.79 TOP2A (0.47) HTR3ATOP2AKCNH2ALDH1A1HPGD
SCHEMBL1005890 0.79 TOP2A (0.48) HTR3ATOP2AHTR6KCNH2KDM4E
SCHEMBL1005315 0.78 TOP2A (0.42) HTR3ATOP2AHTR6KCNH2PIK3CB

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 HTR3A 3/4885TOP2A 323/4885HTR6 14/4885

“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.