SCHEMBL1003528

SCHEMBL1003528

NC(=NO)c1cc(Cl)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.43
GRM2 Q14416 2/20 0.41
CHRM5 P08912 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
METAP2 P50579 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
HTR2C P28335 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL12413577 1.00 GRIN2B (0.43) GRIN2BGRM2CHRM5ALDH1A1TSHR
SCHEMBL1002224 0.85 PARP1 (0.40) PARP1
SCHEMBL1002222 0.85 PARP1 (0.40) PARP1
SCHEMBL2021638 0.83 GRM2 (0.46) GRIN2BGRM2CHRM5ALDH1A1TSHR
SCHEMBL2026639 0.83 GRM2 (0.47) GRIN2BGRM2CHRM5ALDH1A1TSHR
SCHEMBL1003527 0.82 GRM2 (0.43) GRIN2BGRM2CHRM5ALDH1A1METAP2
SCHEMBL8246819 0.81 GRM2 (0.45) GRIN2BGRM2CHRM5ALDH1A1TSHR
SCHEMBL2025257 0.81 GRM2 (0.46) GRIN2BGRM2CHRM5ALDH1A1TSHR
SCHEMBL2026888 0.80 GRM2 (0.47) GRIN2BGRM2CHRM5ALDH1A1TSHR
SCHEMBL2018587 0.80 GRM2 (0.47) GRIN2BGRM2CHRM5ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US 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-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 GRIN2B 11/4885GRM2 3/4885CHRM5 51/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRIN2B 11/4885GRM2 3/4885CHRM5 51/4885

“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.