SCHEMBL2829927

SCHEMBL2829927

C[Si](C)(C)c1cn(-c2cccc([N+](=O)[O-])c2)nn1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 14/20 0.64
NFE2L2 Q16236 14/20 0.64
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL21876434 0.83 KEAP1 (0.67) KEAP1NFE2L2PTGS2SMN1; SMN2
SCHEMBL3753209 0.82 HTT (0.49) KEAP1NFE2L2PTGS2SMN1; SMN2
SCHEMBL31636683 0.78 NOTUM (0.57) KEAP1NFE2L2PTGS2
SCHEMBL31284741 0.77 ALDH1A1 (0.45) KEAP1NFE2L2SMN1; SMN2
SCHEMBL27933358 0.76 KEAP1 (0.77) KEAP1NFE2L2PTGS2
SCHEMBL23557761 0.74 KEAP1 (0.77) KEAP1NFE2L2
SCHEMBL28003857 0.74 KEAP1 (0.72) KEAP1NFE2L2
SCHEMBL2886167 0.73 P2RX7 (0.52) PTGS2
SCHEMBL22584705 0.73 AR (0.68) KEAP1NFE2L2SMN1; SMN2
SCHEMBL23547195 0.73 KEAP1 (0.60) KEAP1NFE2L2

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
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 CN disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 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 (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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 KEAP1 2650/4885NFE2L2 3431/4885PTGS2 1913/4885

“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.