SCHEMBL2826005

SCHEMBL2826005

COC(=O)c1cccc(Nc2sc(C)nc2C(=O)Nc2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 3/20 0.49
HIF1A Q16665 1/20 0.49
RAB9A P51151 10/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 7/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
GPR17 Q13304 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL2824929 0.90 CA12 (0.55) GRM5MAPTSMN1; SMN2TP53RAB9A
SCHEMBL2829389 0.86 GRM5 (0.69) GRM5MAPTSMN1; SMN2TP53HIF1A
SCHEMBL2824776 0.84 GRM5 (0.67) GRM5MAPTTP53NPSR1MEN1
SCHEMBL2826379 0.80 GRM5 (0.48) GRM5MAPTSMN1; SMN2HIF1ARAB9A
SCHEMBL5928176 0.77 RAB9A (0.62) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL2827691 0.77 BRD4 (0.48) GRM5MAPTL3MBTL1NPSR1MEN1
SCHEMBL1814183 0.76 RAB9A (0.73) GRM5MAPTSMN1; SMN2TP53RAB9A
SCHEMBL2830779 0.76 GRM5 (0.71) GRM5SMN1; SMN2TP53RAB9ANPC1
SCHEMBL2829394 0.74 ABCG2 (0.45) GRM5MAPTSMN1; SMN2TP53RAB9A
SCHEMBL2828501 0.73 GRM5 (0.69) GRM5TP53RAB9ANPC1

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 10 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 claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
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 GRM5 4/4885MAPT 3444/4885SMN1; SMN2 3071/4885

“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.