SCHEMBL12582003

SCHEMBL12582003

COc1cc2c(c(OC)c1)C(=O)N(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
PAX8 Q06710 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRK1 P41145 1/20 0.47
PARP1 P09874 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.43
PREP P48147 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL1002978 0.89 MEN1 (0.45) ALDH1A1MAPTNPSR1GAAPAX8
SCHEMBL12641861 0.88 ABCB1 (0.43) MAPTKMT2AMEN1ACHE
SCHEMBL12582011 0.86 PARP1 (0.45) ALDH1A1MAPTNPSR1GAAPAX8
SCHEMBL1003589 0.83 HCRTR1 (0.53) CYP3A4
SCHEMBL18786830 0.80 PARK7 (0.46) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL13628469 0.80 HCRTR1 (0.49) CYP3A4
SCHEMBL1002943 0.79 ADAM17 (0.57) ALDH1A1MAPTNPSR1GAAPAX8
SCHEMBL4633152 0.78 DHCR7 (0.43) ALDH1A1MAPTGAASMN1; SMN2OPRK1
SCHEMBL13952304 0.78 NPC1 (0.54) ALDH1A1MAPTGAASMN1; SMN2PARP1
SCHEMBL29630709 0.77 ACHE (0.48) CYP3A4PDE4APDE4BPDE4CPDE4D

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 ALDH1A1 1582/4885MAPT 3081/4885NPSR1 56/4885

“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.