SCHEMBL365784

SCHEMBL365784

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.43
CACNA1H O95180 3/20 0.43
CACNA1I Q9P0X4 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
AADAT Q8N5Z0 1/20 0.41
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 3/20 0.40
TSPO P30536 2/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL370498 0.86 L3MBTL1 (0.43) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL369192 0.85 AADAT (0.44) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL370291 0.85 KMT2A (0.46) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL2537359 0.84 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL369627 0.84 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL369274 0.83 GSK3B (0.40) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL370412 0.81 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL370013 0.81 MAPT (0.46) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL370679 0.81 L3MBTL1 (0.44) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT
SCHEMBL370299 0.80 AADAT (0.43) CACNA1GCACNA1HCACNA1IL3MBTL1AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513252-B2 Pyrazole derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-08-20 US disclosed
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-2456769-B1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-06-26 EP 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
EP-2456769-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-05-30 EP disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 US 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
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 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 (2 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-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 CACNA1G 290/4885CACNA1H 309/4885CACNA1I 203/4885
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 CACNA1G 325/4885CACNA1H 375/4885CACNA1I 296/4885

“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.