SCHEMBL1005310

SCHEMBL1005310

O=C(O)c1cccc2oc(=S)[nH]c12.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 4/20 0.57
GRM5 P41594 6/20 0.44
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.41
MAPT P10636 2/20 0.40
PBRM1 Q86U86 1/20 0.40
GFER P55789 2/20 0.39
PIM1 P11309 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 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
Lithium Ion SCHEMBL1005308 0.82 PSMB8 (0.56) PSMB8GRM5KDM4EGAAALDH1A1
SCHEMBL1005732 0.81 GRM5 (0.64) GRM5KEAP1PBRM1TDP1
SCHEMBL1005404 0.80 PSMB8 (0.56) PSMB8GRM5KDM4EALDH1A1PIM1
SCHEMBL13542935 0.80 PSMB8 (0.53) PSMB8GRM5KDM4EGAAALDH1A1
SCHEMBL2482363 0.79 GRM5 (0.66) GRM5KEAP1PBRM1TDP1
SCHEMBL846260 0.73 PSMB8 (1.00) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8223813 0.69 PSMB8 (0.61) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL18786059 0.67 PSMB8 (0.52) PSMB8GRM5KDM4EGAAALDH1A1
SCHEMBL3910847 0.67 PSMB8 (0.53) PSMB8KDM4EGAAALDH1A1MAPT
SCHEMBL859999 0.66 PSMB8 (1.00) PSMB8KDM4EGAAALDH1A1MAPT

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 PSMB8 3493/4885GRM5 237/4885KDM4E 2017/4885

“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.