SCHEMBL370507

SCHEMBL370507

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
CHRM1 P11229 2/20 0.46
CACNA1G O43497 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
AADAT Q8N5Z0 1/20 0.43
KLKB1 P03952 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
HDAC1 Q13547 1/20 0.41
CMA1 P23946 1/20 0.41
FABP4 P15090 1/20 0.41
SNCA P37840 1/20 0.41
ADORA3 P0DMS8 1/20 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
SCHEMBL3359322 0.91 KMT2A (0.46) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL370508 0.90 KMT2A (0.53) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL2508574 0.86 KMT2A (0.50) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL3357203 0.86 GSK3B (0.44) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL3356514 0.86 MAPT (0.46) KMT2AMEN1USP2TP53L3MBTL1
SCHEMBL25205458 0.84 KMT2A (0.55) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL1047554 0.84 KMT2A (0.55) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL370320 0.83 KMT2A (0.54) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL6837102 0.82 KMT2A (0.51) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL2361709 0.80 GAA (0.54) KMT2ACHRM1KLKB1

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 1716/4885CHRM1 28/4885CACNA1G 361/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 KMT2A 1764/4885CHRM1 27/4885CACNA1G 390/4885

“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.