SCHEMBL824595

SCHEMBL824595

Nc1ccc2cc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
EGFR P00533 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 2/20 0.39
MAP2 P11137 1/20 0.39
KIT P10721 1/20 0.39
HCAR1 Q9BXC0 2/20 0.38
MGLL Q99685 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL824681 0.85 MAP2 (0.51) FFAR1NPSR1POLBEGFRKDM4E
SCHEMBL824654 0.81 AR (0.45) FFAR1NPSR1POLBKDM4EALDH1A1
SCHEMBL824580 0.80 S1PR1 (0.47) FFAR1NPSR1POLBKDM4EALDH1A1
SCHEMBL2708817 0.80 FFAR1 (0.48) FFAR1NPSR1POLBEGFRMAP2
SCHEMBL824633 0.79 S1PR1 (0.48) FFAR1NPSR1POLBKDM4EALDH1A1
SCHEMBL824929 0.79 FFAR1 (0.45) FFAR1NPSR1POLBEGFRKDM4E
SCHEMBL824597 0.79 FFAR1 (0.45) FFAR1NPSR1POLBEGFRKDM4E
SCHEMBL824740 0.79 FFAR1 (0.41) FFAR1NPSR1POLBEGFRKDM4E
SCHEMBL824582 0.77 CNR2 (0.45) FFAR1NPSR1POLBMGLL
SCHEMBL827835 0.77 FFAR1 (0.43) FFAR1NPSR1POLBEGFRKDM4E

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 FFAR1 452/4885NPSR1 133/4885POLB 3857/4885

“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.