SCHEMBL828030

SCHEMBL828030

O=C(O)N(C[C@@H](O)CO)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
PDE10A Q9Y233 2/20 0.39
PIK3C3 Q8NEB9 2/20 0.34
CNR2 P34972 1/20 0.34
AR P10275 3/20 0.33
C1R P00736 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
KIT P10721 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
KMO O15229 1/20 0.31
SLC13A5 Q86YT5 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL828031 1.00 FFAR1 (0.41) FFAR1PDE10APIK3C3CNR2AR
SCHEMBL828049 0.89 FFAR1 (0.42) FFAR1PDE10APIK3C3ARC1R
SCHEMBL827287 0.87 FFAR1 (0.43) FFAR1PDE10APIK3C3ARC1R
SCHEMBL827978 0.86 FFAR1 (0.42) FFAR1PDE10APIK3C3ARC1R
SCHEMBL826935 0.85 FFAR1 (0.44) FFAR1PDE10APIK3C3ARC1R
SCHEMBL826952 0.85 FFAR1 (0.46) FFAR1PDE10APIK3C3ARC1R
SCHEMBL827900 0.85 FFAR1 (0.43) FFAR1PDE10APIK3C3CNR2AR
SCHEMBL828548 0.83 FFAR1 (0.42) FFAR1PDE10APIK3C3ARC1R
SCHEMBL828026 0.81 FFAR1 (0.43) FFAR1PDE10APIK3C3ARC1R
SCHEMBL828396 0.81 FFAR1 (0.41) FFAR1PDE10APIK3C3CNR2AR

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 3212/4885PIK3C3 4269/4885

“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.