SCHEMBL1008338

SCHEMBL1008338

COC(=O)c1cccc2oc(N3CCn4c(nnc4C(F)(F)F)C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
P2RX7 Q99572 6/20 0.40
DPP4 P27487 4/20 0.39
HTR3A P46098 4/20 0.39
KCNH2 Q12809 2/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIK3CB P42338 1/20 0.35

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
SCHEMBL1005348 0.89 P2RX7 (0.40) P2RX7DPP4HTR3AKCNH2PARP1
Lithium Ion SCHEMBL1005346 0.88 P2RX7 (0.39) P2RX7DPP4HTR3AKCNH2PARP1
SCHEMBL1005325 0.80 HTR3A (0.67) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1004959 0.80 HTR3A (0.66) HTR3AKCNH2
SCHEMBL1006005 0.78 TOP2A (0.50) TOP2AHTR3AKCNH2PIK3CB
SCHEMBL1005315 0.77 TOP2A (0.42) TOP2AP2RX7HTR3AKCNH2PIK3CB
SCHEMBL1007229 0.77 HTR6 (0.52) TOP2AHTR3AKCNH2PIK3CB
SCHEMBL8221829 0.77 HTR3A (0.52) HTR3AKCNH2
SCHEMBL1080222 0.75 HTR6 (0.48) TOP2AHTR3AKCNH2
SCHEMBL1004911 0.74 HTR3A (0.59) TOP2AHTR3AKCNH2PIK3CB

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 323/4885P2RX7 363/4885DPP4 792/4885

“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.