SCHEMBL1002225

SCHEMBL1002225

N=C(NO)c1cc(Cl)c2c(c1)CN(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL1003527 0.85 GRM2 (0.43)
SCHEMBL2020651 0.81 ERCC1 (0.42) LIPGERCC1ERCC4P2RX7
SCHEMBL2182712 0.80 PARP1 (0.35) P2RX7
SCHEMBL1002224 0.79 PARP1 (0.40) HDAC1HDAC6HDAC8HDAC2LIPG
SCHEMBL1002222 0.79 PARP1 (0.40) HDAC1HDAC6HDAC8HDAC2LIPG
SCHEMBL2027229 0.79 ERCC1 (0.39) HDAC1HDAC6HDAC8HDAC2LIPG
SCHEMBL2026774 0.76 MAPT (0.40) LIPGERCC1ERCC4P2RX7
SCHEMBL2024695 0.75 MEN1 (0.39) LIPGERCC1ERCC4P2RX7
SCHEMBL8271313 0.75 PARP1 (0.41) LIPGERCC1ERCC4
SCHEMBL2022556 0.75 PARP1 (0.39) HDAC1HDAC6HDAC8HDAC2HDAC3

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 HDAC1 2399/4885HDAC6 2558/4885HDAC8 3518/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 HDAC1 2399/4885HDAC6 2558/4885HDAC8 3518/4885

“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.