SCHEMBL2506571

SCHEMBL2506571

COc1ccc(Cn2cc(C(=O)CBr)c(CC(C)C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
KLKB1 P03952 6/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LDHA P00338 1/20 0.38
FEN1 P39748 1/20 0.38
HDAC1 Q13547 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SNCA P37840 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
SCHEMBL2511190 0.88 KMT2A (0.43) KMT2APOLBPKMAADATKLKB1
SCHEMBL3357203 0.87 GSK3B (0.44) GSK3BKMT2AAADATKLKB1CACNA1G
SCHEMBL369529 0.87 KLKB1 (0.48) GSK3BKLKB1
SCHEMBL2508574 0.87 KMT2A (0.50) KMT2APOLBPKMAADATKLKB1
SCHEMBL2509798 0.83 MAPT (0.43) KMT2AMEN1FEN1L3MBTL1
SCHEMBL25198644 0.82 GSK3B (0.47) GSK3BKMT2AAADATKLKB1CACNA1G
SCHEMBL1046790 0.82 GSK3B (0.47) GSK3BKMT2AAADATKLKB1CACNA1G
SCHEMBL370325 0.82 GSK3B (0.47) GSK3BKMT2AAADATCACNA1GCACNA1H
SCHEMBL369065 0.81 KLKB1 (0.46) GSK3BKMT2AAADATKLKB1CACNA1G
SCHEMBL3356363 0.78 GAA (0.51) GSK3BKLKB1

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-9073907-B2 Thiazoles derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2015-07-07 US disclosed
EP-2376486-B1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2013-11-06 EP disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 US disclosed
EP-2376486-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-10-19 EP disclosed
WO-2010079239-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2010-07-15 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-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 GSK3B 2580/4885KMT2A 2333/4885POLB 4297/4885

“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.