SCHEMBL12582011

SCHEMBL12582011

COc1cc(I)c2c(c1)CN(Cc1ccccc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
OPRK1 P41145 2/20 0.44
PREP P48147 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM5 P08912 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
ELANE P08246 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL12582020 0.89 SMN1; SMN2 (0.38) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL12582003 0.86 ALDH1A1 (0.49) PARP1KMT2AMEN1OPRK1PREP
SCHEMBL1001530 0.84 GRM2 (0.48) ALDH1A1CHRM5
SCHEMBL2025558 0.82 GAA (0.43) KMT2AMEN1MAPTGAACHRM5
SCHEMBL12582007 0.81 PARP1 (0.51) PARP1PREPHDAC4HDAC1HDAC6
SCHEMBL12581775 0.81 PARP1 (0.48) PARP1OPRK1PREPHDAC4HDAC1
SCHEMBL2020648 0.79 CMA1 (0.50) PARP1KMT2AMEN1LMNAALDH1A1
SCHEMBL2018643 0.79 MEN1 (0.51) PARP1KMT2AMEN1PREPLMNA
SCHEMBL2026373 0.78 PARP1 (0.41) PARP1KMT2AMEN1PREPCHRM5
SCHEMBL1002943 0.78 ADAM17 (0.57) KMT2AMEN1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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 (1 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 PARP1 3945/4885KMT2A 3975/4885MEN1 2588/4885

“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.