SCHEMBL1005065

SCHEMBL1005065

Cc1cc(C(Cc2ccc(F)cc2)C2CCNCC2)cc2c1C(=O)N(CC1CCCCC1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIN2A Q12879 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
PARP2 Q9UGN5 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
GRM2 Q14416 1/20 0.31
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL1002132 0.96 PARP1 (0.39) PARP1GRIA2GRIN2APIK3CDPIK3CA
SCHEMBL1003205 0.91 PARP1 (0.39) PARP1PARP2MEN1KMT2A
SCHEMBL1003211 0.86 PARP1 (0.41) PARP1ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL1001900 0.85 PARP1 (0.38) PARP1ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL1002272 0.83 PARP1 (0.38) PARP1KDM4EPIK3CDPIK3CAPIK3CG
SCHEMBL1001864 0.82 PARP1 (0.39) PARP1PIK3CDPIK3CAPIK3CGPARP2
SCHEMBL1000991 0.80 PARP1 (0.40) PARP1PARP2
SCHEMBL1003904 0.79 PARP1 (0.38) PARP1ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL1000891 0.74 PARP1 (0.45) PARP1PIK3CDPIK3CAPIK3CGPARP2
SCHEMBL2023588 0.74 PARP1 (0.39) PARP1

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-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US claimed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US claimed
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 PARP1 3651/4885KDM4E 3408/4885ALDH1A1 1757/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 PARP1 3651/4885KDM4E 3408/4885ALDH1A1 1757/4885

“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.