SCHEMBL3354829

SCHEMBL3354829

COc1ccc(Cn2ncc(C(=N)NO)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.45
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
UCHL1 P09936 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
CMA1 P23946 1/20 0.40
KMT2A Q03164 2/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL3356442 0.84 NPBWR1 (0.47) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23206336 0.82 SMN1; SMN2 (0.52) NPBWR1MCHR1MAPTSMN1; SMN2LMNA
SCHEMBL3354822 0.77 NPBWR1 (0.45) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3354825 0.77 NPBWR1 (0.45) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13964565 0.76 NPBWR1 (0.55) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21436815 0.75 NPBWR1 (0.46) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13723573 0.75 NPBWR1 (0.65) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3359633 0.74 CMA1 (0.43) ALDH1A1MAPTKDM4EALOX15CMA1
SCHEMBL17458965 0.74 NPBWR1 (0.52) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19170435 0.71 NPBWR1 (0.50) NPBWR1MCHR1ALDH1A1MAPTUCHL1

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 NPBWR1 608/4885MCHR1 289/4885ALDH1A1 3866/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPBWR1 684/4885MCHR1 277/4885ALDH1A1 3998/4885

“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.