SCHEMBL2825636

SCHEMBL2825636

O=C(O)c1ncsc1Nc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.48
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KDM1A O60341 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CAMK2D Q13557 1/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44

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
SCHEMBL2826686 0.83 KDM4E (0.54) CSNK2A1CSNK2A2CSNK2BHDAC6PIM1
SCHEMBL2825916 0.83 CSNK2A1 (0.50) CSNK2A1CSNK2A2CSNK2BMAPTMEN1
SCHEMBL2831118 0.81 MAPT (0.57) MAPTGAAMEN1KMT2ANPC1
SCHEMBL2828460 0.81 AKR1C3 (0.52) MAPTGAAMEN1KMT2ANPC1
SCHEMBL2829369 0.80 KMT2A (0.55) CSNK2A1CSNK2A2CSNK2BMAPTGAA
SCHEMBL2825943 0.80 HTT (0.47) CSNK2A1CSNK2A2CSNK2BMAPTGAA
SCHEMBL2828722 0.78 KDM4E (0.45) MAPTGAAKMT2AHDAC6HDAC3
SCHEMBL2829477 0.75 NAMPT (0.56) NPC1RAB9ALMNAHTTALDH1A1
SCHEMBL2830058 0.75 LMNA (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL985716 0.74 KDM4E (0.69) NPC1RAB9ALMNASMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 CN claimed
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
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 CN disclosed
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 CSNK2A1 568/4885CSNK2A2 560/4885CSNK2B 699/4885

“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.