SCHEMBL3357203

SCHEMBL3357203

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ AADAT Q8N5Z0 1/20 0.41
▸ KLKB1 P03952 6/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CACNA1G O43497 2/20 0.40
▸ CACNA1H O95180 2/20 0.40
▸ CACNA1I Q9P0X4 2/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ CMA1 P23946 1/20 0.38
▸ HSP90AA1 P07900 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
SCHEMBL369529 0.90 KLKB1 (0.48) GSK3BKLKB1
SCHEMBL3359322 0.87 KMT2A (0.46) GSK3BKMT2AAADATKLKB1MEN1
SCHEMBL2506571 0.87 GSK3B (0.42) GSK3BKMT2AAADATKLKB1MEN1
SCHEMBL370507 0.86 KMT2A (0.53) KMT2AAADATKLKB1MEN1NPC1
SCHEMBL25198644 0.85 GSK3B (0.47) GSK3BKMT2AAADATKLKB1MEN1
SCHEMBL370325 0.85 GSK3B (0.47) GSK3BKMT2AAADATMEN1NPC1
SCHEMBL1046790 0.85 GSK3B (0.47) GSK3BKMT2AAADATKLKB1MEN1
SCHEMBL3356514 0.83 MAPT (0.46) KMT2AMEN1L3MBTL1
SCHEMBL3356363 0.81 GAA (0.51) GSK3BKLKB1
SCHEMBL369065 0.81 KLKB1 (0.46) GSK3BKMT2AAADATKLKB1MEN1

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 GSK3B 1639/4885KMT2A 1716/4885AADAT 942/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 GSK3B 1530/4885KMT2A 1764/4885AADAT 857/4885

“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.

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