SCHEMBL370907

SCHEMBL370907

COc1ccc(Cn2ncc(I)c2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.50
UCHL1 P09936 1/20 0.50
MCHR1 Q99705 1/20 0.46
PTGER4 P35408 1/20 0.44
CMA1 P23946 1/20 0.42
AKR1C3 P42330 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14809708 0.85 NPBWR1 (0.51) NPBWR1UCHL1MCHR1PTGER4ALDH1A1
SCHEMBL16252260 0.85 UCHL1 (0.54) NPBWR1UCHL1MCHR1PTGER4CMA1
SCHEMBL370322 0.85 UCHL1 (0.66) NPBWR1UCHL1MCHR1ALDH1A1
SCHEMBL366891 0.84 UCHL1 (0.46) NPBWR1UCHL1MCHR1CMA1ALDH1A1
SCHEMBL14809577 0.82 UCHL1 (0.51) NPBWR1UCHL1MCHR1PTGER4AKR1C3
SCHEMBL20138946 0.79 NPBWR1 (0.56) NPBWR1UCHL1MCHR1CMA1ALDH1A1
SCHEMBL22216376 0.78 UCHL1 (0.47) NPBWR1UCHL1MCHR1PTGER4ALOX15
SCHEMBL20746001 0.77 NPBWR1 (0.51) NPBWR1UCHL1MCHR1ALDH1A1
SCHEMBL16252258 0.76 UCHL1 (0.56) NPBWR1UCHL1MCHR1ALDH1A1HTT
SCHEMBL14810739 0.76 UCHL1 (0.53) NPBWR1UCHL1MCHR1ALDH1A1HTT

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 NPBWR1 582/4885UCHL1 4390/4885MCHR1 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.