SCHEMBL3359322

SCHEMBL3359322

CCc1nn(Cc2ccc(OC)cc2)cc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
AADAT Q8N5Z0 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CACNA1G O43497 2/20 0.43
CACNA1H O95180 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
KLKB1 P03952 7/20 0.42
HDAC1 Q13547 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CMA1 P23946 1/20 0.42
SNCA P37840 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL370507 0.91 KMT2A (0.53) KMT2AAADATMEN1NPC1RAB9A
SCHEMBL3357203 0.87 GSK3B (0.44) KMT2AAADATMEN1NPC1RAB9A
SCHEMBL3356514 0.87 MAPT (0.46) KMT2AMEN1L3MBTL1
SCHEMBL2511190 0.86 KMT2A (0.43) KMT2AAADATMEN1NPC1RAB9A
SCHEMBL25184413 0.85 AADAT (0.47) KMT2AAADATMEN1NPC1RAB9A
SCHEMBL1048770 0.85 KMT2A (0.46) KMT2AAADATMEN1NPC1RAB9A
SCHEMBL369567 0.84 KMT2A (0.46) KMT2AAADATMEN1NPC1RAB9A
SCHEMBL3355699 0.81 GAA (0.54) KLKB1
SCHEMBL4552450 0.80 MEN1 (0.45) KMT2AAADATMEN1NPC1RAB9A
SCHEMBL370508 0.80 KMT2A (0.53) KMT2AMEN1NPC1RAB9ACACNA1G

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 6 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
CN-101874029-A Pyrazole derivatives as metabotropic glutamate receptor modulators ADDEX PHARMACEUTICALS SA 2010-10-27 CN 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 KMT2A 1716/4885AADAT 942/4885MEN1 3884/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 KMT2A 1764/4885AADAT 857/4885MEN1 3722/4885

“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.