SCHEMBL4315971

SCHEMBL4315971

COC(=O)c1cccc2oc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
THRB P10828 2/20 0.47
GAA P10253 1/20 0.47
HTR3A P46098 2/20 0.47
KCNH2 Q12809 2/20 0.47
LMNA P02545 6/20 0.46
MAPT P10636 2/20 0.44
PARP1 P09874 2/20 0.44
TOP2A P11388 1/20 0.44
MMP13 P45452 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL4305254 0.90 SMN1; SMN2 (0.51) HSD17B10SMN1; SMN2THRBGAAHTR3A
SCHEMBL23411131 0.85 SMN1; SMN2 (0.49) SMN1; SMN2THRBGAALMNAMAPT
SCHEMBL1121524 0.84 ALDH1A1 (0.49) MAPTPARP1MMP13GPR119
SCHEMBL1005073 0.82 PARP1 (0.44) SMN1; SMN2GAAHTR3AKCNH2LMNA
SCHEMBL23411442 0.82 MAPT (0.49) SMN1; SMN2THRBGAALMNAMAPT
SCHEMBL1005912 0.80 TOP2A (0.40) HSD17B10HTR3AKCNH2PARP1TOP2A
SCHEMBL4308323 0.79 TOP2A (0.51) HSD17B10SMN1; SMN2HTR3AKCNH2LMNA
SCHEMBL26651033 0.78 EED (0.45) HSD17B10SMN1; SMN2THRBGAALMNA
SCHEMBL1004889 0.78 TOP2A (0.42) HTR3APARP1TOP2A
SCHEMBL1004469 0.77 HTR3A (0.48) HTR3AKCNH2PARP1TOP2AGPR119

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-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

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 HSD17B10 3418/4885SMN1; SMN2 2978/4885THRB 855/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HSD17B10 3418/4885SMN1; SMN2 2978/4885THRB 855/4885

“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.