SCHEMBL824728

SCHEMBL824728

CN(CCO)c1ccc2cc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIT P10721 1/20 0.37
NTSR1 P30989 4/20 0.35
TNKS O95271 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 1/20 0.34
ABL1 P00519 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SCN9A Q15858 1/20 0.34
MAP2 P11137 1/20 0.33

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
SCHEMBL824929 0.91 FFAR1 (0.45) FFAR1POLBNPSR1KITTNKS
SCHEMBL824740 0.90 FFAR1 (0.41) FFAR1POLBNPSR1KITTNKS
SCHEMBL2710616 0.87 FFAR1 (0.43) FFAR1POLBNPSR1KITEGFR
Trifluoroacetic Acid SCHEMBL828181 0.87 FFAR1 (0.45) FFAR1POLBNPSR1KITTNKS
SCHEMBL827610 0.86 FFAR1 (0.44) FFAR1POLBNPSR1KITTNKS
SCHEMBL824666 0.85 PDE10A (0.41) FFAR1KITTNKSKDM4EALDH1A1
SCHEMBL824664 0.84 SUV39H2 (0.39) FFAR1KITEGFRABL1SCN9A
SCHEMBL824722 0.83 NTSR1 (0.42) FFAR1NTSR1
SCHEMBL827412 0.82 FFAR1 (0.46) FFAR1POLBNPSR1KITTNKS
SCHEMBL824597 0.79 FFAR1 (0.45) FFAR1POLBNPSR1KITKDM4E

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 9 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
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 452/4885POLB 3857/4885NPSR1 133/4885

“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.