SCHEMBL1007865

SCHEMBL1007865

COC(=O)c1cccc2oc(C3CNCCS3(=O)=O)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.43
HTR3A P46098 6/20 0.37
KCNH2 Q12809 2/20 0.37
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
Lithium Ion SCHEMBL1008108 0.86 HTR3A (0.35) HTR3AKCNH2
SCHEMBL4308323 0.78 TOP2A (0.51) TOP2AHTR3AKCNH2RIPK1KDM4E
Hydrochloric Acid SCHEMBL1005895 0.77 HTR3A (0.68) HTR3AKCNH2
SCHEMBL3984595 0.72 TOP2A (0.47) TOP2AHTR3AKCNH2RIPK1KDM4E
SCHEMBL1004565 0.70 HTR3A (0.61) TOP2AHTR3AKCNH2RIPK1KDM4E
SCHEMBL3984677 0.70 HTR3A (0.61) TOP2AHTR3AKCNH2RIPK1KDM4E
SCHEMBL1121563 0.70 RIPK1 (0.48) TOP2AHTR3AKCNH2RIPK1KDM4E
SCHEMBL1398896 0.69 TOP2A (0.59) TOP2ARIPK1KDM4EALDH1A1HPGD
SCHEMBL1007867 0.68 ALDH1A1 (0.48) TOP2AHTR3AKCNH2KDM4EALDH1A1
SCHEMBL4311643 0.68 HTR3A (0.48) TOP2AHTR3AKCNH2RIPK1HSD17B10

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 323/4885HTR3A 3/4885KCNH2 1871/4885

“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.