SCHEMBL824720

SCHEMBL824720

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.40
TSHR P16473 1/20 0.39
AR P10275 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KIT P10721 1/20 0.36
POLQ O75417 1/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
TRPA1 O75762 2/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL824749 0.91 FFAR1 (0.39) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL826935 0.81 FFAR1 (0.44) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL828213 0.80 FFAR1 (0.41) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL824762 0.80 PDE10A (0.40) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL824666 0.80 PDE10A (0.41) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL827978 0.80 FFAR1 (0.42) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL824611 0.80 KIT (0.42) LMNAFFAR1TSHRKDM4EALDH1A1
SCHEMBL824736 0.79 PDE10A (0.39) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL824920 0.79 AR (0.46) FFAR1ARPIK3C3PDE10AKDM4E
SCHEMBL828396 0.77 FFAR1 (0.41) FFAR1ARPIK3C3PDE10AKIT

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 8 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-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US 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
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 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 LMNA 4396/4885FFAR1 452/4885TSHR 466/4885

“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.