SCHEMBL824929

SCHEMBL824929

O=c1[nH]c(-c2ccccc2OC(F)(F)F)cc2ccc(N(CCO)CCO)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 1/20 0.37
KIT P10721 1/20 0.37
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAP2 P11137 1/20 0.35
EGFR P00533 1/20 0.35
SCN9A Q15858 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
P2RY1 P47900 1/20 0.34
ABL1 P00519 1/20 0.33
SCN5A Q14524 1/20 0.33
TNKS O95271 1/20 0.33
TRPA1 O75762 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL824728 0.91 FFAR1 (0.43) FFAR1POLBNPSR1KITMGLL
SCHEMBL824920 0.84 AR (0.46) FFAR1ARKITKDM4EALDH1A1
SCHEMBL824740 0.83 FFAR1 (0.41) FFAR1POLBNPSR1ARKIT
SCHEMBL827412 0.82 FFAR1 (0.46) FFAR1POLBNPSR1KITMGLL
SCHEMBL824597 0.81 FFAR1 (0.45) FFAR1POLBNPSR1KITMGLL
Trifluoroacetic Acid SCHEMBL828181 0.80 FFAR1 (0.45) FFAR1POLBNPSR1KITMGLL
SCHEMBL2710616 0.80 FFAR1 (0.43) FFAR1POLBNPSR1KITMGLL
SCHEMBL827835 0.80 FFAR1 (0.43) FFAR1POLBNPSR1KITMGLL
SCHEMBL827610 0.80 FFAR1 (0.44) FFAR1POLBNPSR1KITMGLL
SCHEMBL824595 0.79 FFAR1 (0.45) FFAR1POLBNPSR1KITMGLL

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 452/4885POLB 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.