SCHEMBL3359632

SCHEMBL3359632

COc1ccc(Cn2cc(C(N)=NO)c(C)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
AADAT Q8N5Z0 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NTRK1 P04629 1/20 0.41
PIM1 P11309 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
CMA1 P23946 1/20 0.40
HTT P42858 1/20 0.39
PTGS2 P35354 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
SCHEMBL3359630 1.00 GAA (0.43) GAAAADATKMT2AMEN1NPC1
SCHEMBL3354465 0.84 KMT2A (0.44) AADATKMT2AMEN1NPC1RAB9A
SCHEMBL1048770 0.80 KMT2A (0.46) AADATKMT2AMEN1NPC1RAB9A
SCHEMBL1047554 0.80 KMT2A (0.55) AADATKMT2AMEN1NPC1RAB9A
SCHEMBL19170474 0.77 MEN1 (0.52) GAAAADATKMT2AMEN1NPC1
SCHEMBL3359633 0.77 CMA1 (0.43) AADATKMT2AMEN1NPC1RAB9A
SCHEMBL1052418 0.77 PDE4D (0.49) GAAKMT2AMEN1NPC1ALDH1A1
SCHEMBL1046790 0.77 GSK3B (0.47) AADATKMT2AMEN1NPC1RAB9A
SCHEMBL17459011 0.76 MEN1 (0.49) GAAAADATKMT2AMEN1NPC1
SCHEMBL3354822 0.74 NPBWR1 (0.45) GAAKMT2ANPC1ALDH1A1MAPT

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
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 GAA 3141/4885AADAT 942/4885KMT2A 1716/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 GAA 3066/4885AADAT 857/4885KMT2A 1764/4885

“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.