SCHEMBL4311643

SCHEMBL4311643

COC(=O)c1cccc2oc(C3CCCCN3C)nc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.48
KCNH2 Q12809 5/20 0.48
PARP1 P09874 5/20 0.45
TOP2A P11388 2/20 0.45
RIPK1 Q13546 1/20 0.44
HSD17B10 Q99714 1/20 0.43
USP30 Q70CQ3 2/20 0.42
PARP2 Q9UGN5 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4318157 0.88 HTR3A (0.48) HTR3AKCNH2PARP1USP30PARP2
SCHEMBL4317096 0.80 HTR3A (0.78) HTR3AKCNH2CYP3A4
Hydrochloric Acid SCHEMBL4308401 0.80 HTR3A (0.76) HTR3AKCNH2CYP3A4
SCHEMBL4308323 0.75 TOP2A (0.51) HTR3AKCNH2PARP1TOP2ARIPK1
SCHEMBL4315971 0.75 HSD17B10 (0.52) HTR3AKCNH2PARP1TOP2AHSD17B10
SCHEMBL1006005 0.75 TOP2A (0.50) HTR3AKCNH2TOP2ARIPK1HSD17B10
SCHEMBL4311645 0.73 PARP1 (0.38) HTR3AKCNH2PARP1USP30PARP2
SCHEMBL1004928 0.73 RIPK1 (0.58) HTR3ATOP2ARIPK1
SCHEMBL4313553 0.72 TOP2A (0.45) HTR3AKCNH2TOP2ARIPK1HSD17B10
SCHEMBL204388 0.72 PARP1 (0.53) HTR3AKCNH2PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278301-B2 2-alkylbenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-02 US disclosed
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-09-10 US disclosed
US-7553846-B2 2-alkylbenzoxazole carboxamides as 5-HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2009-06-30 US disclosed
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-09-04 US disclosed
WO-2008019363-A2 2-ALKYLBENZOXAZOLE 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 (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-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1161/4885PARP1 1175/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1161/4885PARP1 1175/4885

“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.