SCHEMBL13613684

SCHEMBL13613684

COC(=O)c1c(CBr)ccc(F)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
BDKRB1 P46663 7/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 3/20 0.37
MEP1B Q16820 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL19242387 0.86 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL31246182 0.85 MEP1B (0.40) CA12CA1CA2CA7CA9
SCHEMBL2020273 0.83 BDKRB1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL29467953 0.82 BDKRB1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL3200381 0.82 BDKRB1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8322933 0.79 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL28282779 0.78 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL23362809 0.77 MEP1B (0.43) CA12CA1CA2CA7CA9
SCHEMBL20046530 0.77 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL30571178 0.77 CA12 (0.38) CA12CA1CA2CA7CA9

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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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 CA12 4719/4885CA1 2973/4885CA2 2499/4885

“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.