SCHEMBL1003663

SCHEMBL1003663

COC(=O)c1cccc2oc(N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)nc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
HDAC1 Q13547 1/20 0.42
HTR3A P46098 11/20 0.40
TOP2A P11388 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
HSD11B1 P28845 1/20 0.39
KCNH2 Q12809 1/20 0.37
MAPK8 P45983 1/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36

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
SCHEMBL4415686 0.91 PARP1 (0.47) PARP1HDAC1HTR3AGPR119HSD11B1
SCHEMBL1004489 0.80 SMARCA2 (0.43) PARP1HTR3ATOP2AGPR119
SCHEMBL1004552 0.80 HTR3A (0.46) PARP1HTR3ATOP2AKCNH2
SCHEMBL1004914 0.80 SMARCA2 (0.43) PARP1HTR3ATOP2AGPR119
SCHEMBL1004553 0.80 HTR3A (0.46) PARP1HTR3ATOP2AKCNH2
SCHEMBL1004487 0.80 SMARCA2 (0.43) PARP1HTR3ATOP2AGPR119
SCHEMBL1006760 0.80 NAAA (0.47) HDAC1HTR3ATOP2AGPR119KCNH2
SCHEMBL1004469 0.78 HTR3A (0.48) PARP1HTR3ATOP2AGPR119KCNH2
SCHEMBL1004355 0.78 HTR3A (0.48) PARP1HTR3ATOP2AGPR119KCNH2
SCHEMBL1005157 0.78 HTR3A (0.48) PARP1HTR3ATOP2AGPR119KCNH2

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 2 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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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 (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 PARP1 1738/4885HDAC1 3142/4885HTR3A 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.