SCHEMBL2829795

SCHEMBL2829795

CCn1nccc1Nc1sc(C)nc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 3/20 0.35
GRM5 P41594 6/20 0.35
PIK3CA P42336 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
NTRK1 P04629 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL2826090 0.86 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AGRM5NPSR1
SCHEMBL2824736 0.83 KMT2A (0.37) ALDH1A1KMT2AGRM5MAPK1NTRK1
SCHEMBL5185611 0.81 GRM5 (0.43) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL3766193 0.72 RAB9A (0.48) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL2829067 0.72 CTSK (0.35) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL2827809 0.72 GRM5 (0.50) NPC1MEN1KMT2ARAB9AGRM5
SCHEMBL13494113 0.71 PTGS2 (0.41) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL2832103 0.70 SMN1; SMN2 (0.46) MEN1KMT2AGRM5NTRK1SMN1; SMN2
SCHEMBL2829903 0.70 GRM5 (0.41) ALDH1A1NPC1KMT2ARAB9AGRM5
SCHEMBL5008627 0.69 MAPK8 (0.50) MEN1KMT2AMAPK1HPGDMAPT

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 12 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
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN 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
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN 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 ALDH1A1 913/4885NPC1 2568/4885MEN1 2558/4885

“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.