SCHEMBL366891

SCHEMBL366891

COc1ccc(Cn2ncc(I)c2C(=O)N(C)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.46
NPBWR1 P48145 11/20 0.45
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSPO P30536 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL370907 0.84 NPBWR1 (0.50) UCHL1NPBWR1MCHR1ALDH1A1HTT
SCHEMBL370322 0.80 UCHL1 (0.66) UCHL1NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL15130259 0.79 NPBWR1 (0.45) UCHL1NPBWR1MCHR1ALDH1A1HTT
SCHEMBL370615 0.77 NPBWR1 (0.44) UCHL1NPBWR1MCHR1ALDH1A1HTT
SCHEMBL1048024 0.77 NPBWR1 (0.48) UCHL1NPBWR1MCHR1ALDH1A1HTT
SCHEMBL365784 0.75 CACNA1G (0.43) ALDH1A1HTTSMN1; SMN2TSPOL3MBTL1
SCHEMBL1310046 0.74 NPBWR1 (0.49) UCHL1NPBWR1MCHR1L3MBTL1
SCHEMBL369606 0.74 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1
SCHEMBL23798467 0.74 UCHL1 (0.48) UCHL1NPBWR1MCHR1ALDH1A1HTT
SCHEMBL20138946 0.74 NPBWR1 (0.56) UCHL1NPBWR1MCHR1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 UCHL1 4390/4885NPBWR1 582/4885MCHR1 503/4885

“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.