SCHEMBL4308323

SCHEMBL4308323

COC(=O)c1cccc2oc(C3CCNCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.51
HTR3A P46098 3/20 0.49
KCNH2 Q12809 2/20 0.49
HSD17B10 Q99714 1/20 0.48
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RIPK1 Q13546 1/20 0.42
HTR2C P28335 1/20 0.41
PARP1 P09874 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PLAT P00750 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
HCRTR2 O43614 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL1121563 0.81 RIPK1 (0.48) TOP2AHTR3AKCNH2RIPK1HTR2C
SCHEMBL4315971 0.79 HSD17B10 (0.52) TOP2AHTR3AKCNH2HSD17B10LMNA
SCHEMBL1007865 0.78 TOP2A (0.43) TOP2AHTR3AKCNH2HSD17B10LMNA
SCHEMBL7966015 0.77 HTR2C (0.46) HTR3AKCNH2LMNAHTR2CUSP2
SCHEMBL2707902 0.76 SMN1; SMN2 (0.51) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL4321243 0.76 HTR3A (0.87) HTR3AKCNH2
SCHEMBL4315476 0.75 HTR3A (0.57) TOP2AHTR3AKCNH2HSD17B10LMNA
SCHEMBL4311643 0.75 HTR3A (0.48) TOP2AHTR3AKCNH2HSD17B10RIPK1
Hydrochloric Acid SCHEMBL4303859 0.75 HTR3A (0.86) HTR3AKCNH2
SCHEMBL4315424 0.75 HTR3A (0.87) HTR3AKCNH2

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 TOP2A 259/4885HTR3A 3/4885KCNH2 1161/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TOP2A 259/4885HTR3A 3/4885KCNH2 1161/4885

“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.