SCHEMBL828701

SCHEMBL828701

O=C(O)N(Cc1ccoc1)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
FFAR1 O14842 1/20 0.41
PDE10A Q9Y233 1/20 0.36
TNKS O95271 1/20 0.35
PIK3C3 Q8NEB9 3/20 0.35
C1R P00736 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
AKR1B1 P15121 1/20 0.33
KMO O15229 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL826952 0.91 FFAR1 (0.46) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL826935 0.83 FFAR1 (0.44) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL827287 0.82 FFAR1 (0.43) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL827978 0.82 FFAR1 (0.42) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL828049 0.81 FFAR1 (0.42) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL828548 0.81 FFAR1 (0.42) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL828030 0.79 FFAR1 (0.41) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL828026 0.79 FFAR1 (0.43) ARFFAR1PDE10ATNKSPIK3C3
SCHEMBL828396 0.79 FFAR1 (0.41) ARFFAR1PDE10APIK3C3C1R
SCHEMBL828191 0.79 FFAR1 (0.41) FFAR1PDE10ATNKSPIK3C3

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 AR 254/4885FFAR1 452/4885PDE10A 3212/4885

“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.