SCHEMBL2828075

SCHEMBL2828075

CCOC(=O)c1ncsc1Nc1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
ERBB3 P21860 1/20 0.57
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
MTNR1B P49286 3/20 0.54
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ILK Q13418 1/20 0.48
MTNR1A P48039 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 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
SCHEMBL2829714 0.88 KDM4E (0.44) EGFRERBB3MAPTTP53KDM4E
SCHEMBL2827633 0.85 HTT (0.53) MAPTTP53KDM4ESMN1; SMN2ILK
SCHEMBL2831118 0.85 MAPT (0.57) EGFRMAPTKDM4ESMN1; SMN2ILK
SCHEMBL2829369 0.84 KMT2A (0.55) MAPTMTNR1BMTNR1AHTTPKM
SCHEMBL2827894 0.84 ILK (0.66) MAPTTP53KDM4ESMN1; SMN2ILK
SCHEMBL2829088 0.84 SMN1; SMN2 (0.51) MAPTTP53KDM4ESMN1; SMN2ILK
SCHEMBL2832046 0.82 SETD7 (0.49) MAPTKDM4ESMN1; SMN2ILKALDH1A1
SCHEMBL2829177 0.79 KDM4E (0.54) MAPTTP53KDM4ESMN1; SMN2ILK
SCHEMBL9585305 0.79 ALDH1A1 (0.52) EGFRERBB3MAPTTP53KDM4E
SCHEMBL2826575 0.79 NAMPT (0.54) MAPTKDM4ESMN1; SMN2ILKALDH1A1

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 EGFR 688/4885ERBB3 609/4885MAPT 3444/4885

“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.