SCHEMBL1003751

SCHEMBL1003751

COc1cc(OC)c2c(c1Br)CN(C(C)c1ccc(Cl)cc1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.36
HSD11B1 P28845 4/20 0.35
MDM4 O15151 5/20 0.34
MDM2 Q00987 5/20 0.34
HDAC8 Q9BY41 1/20 0.33
OPRM1 P35372 1/20 0.32
GRIN2D O15399 4/20 0.31
GRIN3B O60391 4/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2B Q13224 4/20 0.31
GRIN2C Q14957 4/20 0.31
GRIN3A Q8TCU5 4/20 0.31
ALDH1A1 P00352 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8272139 0.78 ACHE (0.39) HSD11B1MDM4MDM2OPRM1ALDH1A1
SCHEMBL1001744 0.78 ACHE (0.39) HSD11B1MDM4MDM2OPRM1ALDH1A1
SCHEMBL12413553 0.78 HSD11B1 (0.37) HSD11B1MDM4MDM2GRIN2DGRIN3B
SCHEMBL1054185 0.76 MEN1 (0.44) AMY1AALDH1A1KDM4E
SCHEMBL27703849 0.71 AMY1A (0.34) AMY1AMDM4MDM2HDAC8
SCHEMBL8239554 0.71 PIK3CG (0.39) AMY1AHSD11B1OPRM1POLB
SCHEMBL2026452 0.70 PIK3CG (0.40) HSD11B1OPRM1HDAC1HDAC6
SCHEMBL2025196 0.70 PIK3CG (0.40) HSD11B1OPRM1HDAC1HDAC6
SCHEMBL2024709 0.70 PIK3CG (0.43) HSD11B1HDAC1HDAC6
SCHEMBL2024712 0.70 PIK3CG (0.43) HSD11B1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
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 AMY1A 4876/4885HSD11B1 3234/4885MDM4 4410/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 AMY1A 4876/4885HSD11B1 3234/4885MDM4 4410/4885

“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.