SCHEMBL12582007

SCHEMBL12582007

O=C1c2c(I)cc(O)cc2CN1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
PREP P48147 5/20 0.47
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DHPS P49366 1/20 0.40

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
SCHEMBL12581775 0.84 PARP1 (0.48) PARP1PREPHDAC4HDAC1HDAC6
SCHEMBL12582011 0.81 PARP1 (0.45) PARP1PREPHDAC4HDAC1HDAC6
SCHEMBL2022852 0.80 PARP1 (0.63) PARP1PREP
SCHEMBL8272168 0.79 PARP1 (0.38) PARP1
SCHEMBL2022518 0.79 ERCC1 (0.40) PARP1PREPHDAC1HDAC6
SCHEMBL2026373 0.79 PARP1 (0.41) PARP1PREP
SCHEMBL24879105 0.78 PARP1 (0.53) PARP1PREPHDAC4HDAC1HDAC6
SCHEMBL12581907 0.77 PARP1 (0.52) PARP1PREPHDAC4HDAC1HDAC6
SCHEMBL8271305 0.77 PARP1 (0.49) PARP1PREPHDAC4HDAC1HDAC6
SCHEMBL31409566 0.76 HDAC1 (0.49) PARP1PREPHDAC4HDAC1HDAC6

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 3945/4885PREP 3224/4885HDAC4 3609/4885

“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.