SCHEMBL13613686

SCHEMBL13613686

Cc1c(F)ccc2c1C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.40
PARP1 P09874 1/20 0.40
GRM2 Q14416 1/20 0.39
PREP P48147 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13613683 0.89 PARP1 (0.52) PARP1PREPMEN1KMT2A
SCHEMBL13613689 0.86 PREP (0.38) PARP1PREP
SCHEMBL13628796 0.84 GRM2 (0.46) ALDH1A1GRM2
SCHEMBL12581794 0.83 ALDH1A1 (0.43) ALDH1A1POLBRAB9APARP1PREP
SCHEMBL19242396 0.83 CHRM1 (0.47)
SCHEMBL8271979 0.80 ALDH1A1 (0.42) ALDH1A1POLBRAB9AGRM2
SCHEMBL13952126 0.78 ALDH1A1 (0.43) ALDH1A1POLBRAB9APARP1PREP
SCHEMBL13952244 0.75 KDM4E (0.40) ALDH1A1
SCHEMBL2022098 0.75 PARP1 (0.49) ALDH1A1POLBRAB9APARP1PREP
SCHEMBL12441982 0.75 POLB (0.40) ALDH1A1POLBRAB9APARP1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1582/4885POLB 3451/4885RAB9A 1904/4885

“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.