SCHEMBL3354410

SCHEMBL3354410

CCCc1nn(Cc2ccc(OC)cc2)cc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
UCHL1 P09936 1/20 0.43
PDE4D Q08499 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GLA P06280 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
KMT2A Q03164 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL3356514 0.91 MAPT (0.46) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL2509798 0.86 MAPT (0.43) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL1052418 0.85 PDE4D (0.49) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL2507978 0.84 MAPT (0.47) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL369424 0.84 UCHL1 (0.47) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL25191628 0.84 MAPT (0.47) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL2819339 0.84 GRM2 (0.42) MAPTALDH1A1LMNAHSP90AA1KDM4E
SCHEMBL2508034 0.83 MAPT (0.46) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL369164 0.83 ALDH1A1 (0.48) MAPTALDH1A1LMNAUCHL1PDE4D
SCHEMBL6837278 0.83 MAPT (0.43) MAPTALDH1A1LMNAUCHL1PDE4D

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 MAPT 1440/4885ALDH1A1 3866/4885LMNA 4777/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 MAPT 1498/4885ALDH1A1 3998/4885LMNA 4754/4885

“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.