SCHEMBL828592

SCHEMBL828592

O=C(O)N(CCOCc1ccccc1)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
PDE10A Q9Y233 1/20 0.36
AR P10275 2/20 0.35
PPARG P37231 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
MGLL Q99685 1/20 0.33
C1R P00736 1/20 0.32
PPARA Q07869 1/20 0.31
TNKS O95271 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL828012 0.89 FFAR1 (0.38) FFAR1PDE10AARPIK3C3C1R
SCHEMBL828191 0.88 FFAR1 (0.41) FFAR1PDE10APIK3C3TNKSL3MBTL1
SCHEMBL826952 0.87 FFAR1 (0.46) FFAR1PDE10AARPIK3C3C1R
SCHEMBL827287 0.86 FFAR1 (0.43) FFAR1PDE10AARPIK3C3C1R
SCHEMBL827978 0.85 FFAR1 (0.42) FFAR1PDE10AARPIK3C3C1R
SCHEMBL828353 0.85 FFAR1 (0.38) FFAR1PDE10AARPPARGPIK3C3
SCHEMBL828352 0.85 FFAR1 (0.38) FFAR1PDE10AARPPARGPIK3C3
SCHEMBL827979 0.84 FFAR1 (0.41) FFAR1PDE10AARPPARGPIK3C3
SCHEMBL826935 0.83 FFAR1 (0.44) FFAR1PDE10AARPIK3C3C1R
SCHEMBL828396 0.83 FFAR1 (0.41) FFAR1PDE10AARPIK3C3C1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 FFAR1 452/4885PDE10A 3212/4885AR 254/4885

“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.