SCHEMBL2832046

SCHEMBL2832046

CCOC(=O)c1ncsc1Nc1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.49
ILK Q13418 1/20 0.46
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
POLB P06746 1/20 0.41
ELANE P08246 1/20 0.41
BRD4 O60885 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
GRM4 Q14833 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL2831118 0.83 MAPT (0.57) ILKALDH1A1MAPTHTTNPC1
SCHEMBL2827633 0.83 HTT (0.53) ILKALDH1A1MAPTHTTNPC1
SCHEMBL2825943 0.82 HTT (0.47) ALOX15ALDH1A1MAPTHTTGRM4
SCHEMBL2827894 0.82 ILK (0.66) ILKALDH1A1MAPTHTTNPC1
SCHEMBL2828075 0.82 EGFR (0.57) ILKALDH1A1MAPTHTTNPC1
SCHEMBL2829088 0.82 SMN1; SMN2 (0.51) ILKALOX15ALDH1A1MAPTHTT
SCHEMBL9585963 0.80 FNTA (0.48) SETD7KDM4ERXFP1POLBELANE
SCHEMBL2828874 0.79 GRM4 (0.50) ALOX15ALDH1A1MAPTHTTNPC1
SCHEMBL31507518 0.78 GPR35 (0.38) ILKALDH1A1MAPTHTTNPC1
SCHEMBL26684020 0.78 GPR35 (0.38) ILKALDH1A1MAPTHTTNPC1

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
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
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 SETD7 1242/4885ILK 4686/4885ALOX15 3785/4885

“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.