SCHEMBL2829382

SCHEMBL2829382

CCC(C)(C)Nc1scnc1C(=O)Nc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
HPGD P15428 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 2/20 0.44
FLT3 P36888 1/20 0.44
MAP4K1 Q92918 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 3/20 0.44
NAMPT P43490 1/20 0.43
MAPK1 P28482 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2826489 0.89 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2829990 0.83 MEN1 (0.52) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2830965 0.82 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2830799 0.81 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL17120322 0.80 FLT1 (0.38) SMN1; SMN2MAPTALDH1A1FLT1KDR
SCHEMBL17120321 0.80 HDAC2 (0.38) KMT2AMEN1MAPT
SCHEMBL2827185 0.79 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2829103 0.79 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2827214 0.78 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2824725 0.78 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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 8 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
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 KMT2A 1012/4885MEN1 2558/4885SMN1; 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.