SCHEMBL2827633

SCHEMBL2827633

CCOC(=O)c1ncsc1Nc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
MAPK1 P28482 1/20 0.53
ILK Q13418 1/20 0.49
PTGES O14684 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ELANE P08246 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2828184 0.88 MAPT (0.44) HTTMAPK1ILKALDH1A1MAPT
SCHEMBL2831118 0.86 MAPT (0.57) HTTMAPK1ILKPTGESALDH1A1
SCHEMBL2829177 0.85 KDM4E (0.54) HTTMAPK1ILKALDH1A1MAPT
SCHEMBL2827894 0.85 ILK (0.66) HTTMAPK1ILKALDH1A1MAPT
SCHEMBL2828075 0.85 EGFR (0.57) HTTMAPK1ILKALDH1A1MAPT
SCHEMBL2829088 0.85 SMN1; SMN2 (0.51) HTTMAPK1ILKALDH1A1MAPT
SCHEMBL2832046 0.83 SETD7 (0.49) HTTILKALDH1A1MAPTSMN1; SMN2
SCHEMBL2829301 0.81 NLRP3 (0.44) HTTILKALDH1A1MAPTSMN1; SMN2
SCHEMBL2828951 0.81 TSHR (0.50) HTTMAPK1ILKALDH1A1MAPT
SCHEMBL2825916 0.81 CSNK2A1 (0.50) MAPTSMN1; SMN2KDM4ENPC1RAB9A

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 HTT 3032/4885MAPK1 3598/4885ILK 4686/4885

“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.