SCHEMBL1048770

SCHEMBL1048770

COc1ccc(Cn2cc(C(=O)Cl)c(C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
CMA1 P23946 1/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
AADAT Q8N5Z0 1/20 0.45
CACNA1G O43497 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44
HDAC1 Q13547 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SNCA P37840 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
KLKB1 P03952 4/20 0.41

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
SCHEMBL1047554 0.89 KMT2A (0.55) KMT2ACMA1MEN1NPC1RAB9A
SCHEMBL25184413 0.86 AADAT (0.47) KMT2ACMA1MEN1NPC1RAB9A
SCHEMBL1052418 0.85 PDE4D (0.49) KMT2ACMA1MEN1NPC1L3MBTL1
SCHEMBL1046790 0.85 GSK3B (0.47) KMT2ACMA1MEN1NPC1RAB9A
SCHEMBL369567 0.85 KMT2A (0.46) KMT2ACMA1MEN1NPC1RAB9A
SCHEMBL3359322 0.85 KMT2A (0.46) KMT2ACMA1MEN1NPC1RAB9A
SCHEMBL3354465 0.82 KMT2A (0.44) KMT2ACMA1MEN1NPC1RAB9A
SCHEMBL3355699 0.82 GAA (0.54) KLKB1
SCHEMBL2511190 0.82 KMT2A (0.43) KMT2ACMA1MEN1NPC1RAB9A
SCHEMBL19170474 0.81 MEN1 (0.52) KMT2ACMA1MEN1NPC1RAB9A

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-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
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-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-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 (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-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 KMT2A 2143/4885CMA1 4769/4885MEN1 3677/4885

“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.