SCHEMBL370498

SCHEMBL370498

COc1ccc(Cn2cc(C(C)=O)c(C(=O)N(C)OC)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
KMT2A Q03164 3/20 0.41
AADAT Q8N5Z0 1/20 0.40
SNCA P37840 1/20 0.40
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
TSPO P30536 2/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KLKB1 P03952 3/20 0.37
CMA1 P23946 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL369274 0.88 GSK3B (0.40) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL370412 0.86 CACNA1G (0.40) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL365784 0.86 CACNA1G (0.43) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL370679 0.83 L3MBTL1 (0.44) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL368611 0.82 CACNA1G (0.42) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL370299 0.82 AADAT (0.43) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL2537359 0.82 CACNA1G (0.42) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL368790 0.81 KLKB1 (0.47) AADATKLKB1
SCHEMBL369221 0.81 CACNA1G (0.41) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL369521 0.81 CACNA1G (0.43) L3MBTL1CACNA1GCACNA1HCACNA1IKMT2A

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 L3MBTL1 4265/4885CACNA1G 325/4885CACNA1H 375/4885

“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.