SCHEMBL824967

SCHEMBL824967

O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)OC[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
PDE10A Q9Y233 1/20 0.36
PTPRC P08575 1/20 0.36
ROCK2 O75116 1/20 0.36
KIT P10721 1/20 0.36
BRD4 O60885 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.33
AGPAT2 O15120 1/20 0.33
PTGES O14684 1/20 0.33
PYGL P06737 1/20 0.32
ABL1 P00519 1/20 0.32
P2RY1 P47900 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL824799 0.89 SMN1; SMN2 (0.42) FFAR1PDE10APTPRCROCK2KIT
SCHEMBL824812 0.87 FFAR1 (0.40) FFAR1PDE10APTPRCROCK2KIT
SCHEMBL824714 0.86 FFAR1 (0.39) FFAR1PDE10APTPRCROCK2KIT
SCHEMBL824611 0.86 KIT (0.42) FFAR1ROCK2KITALDH1A1LMNA
SCHEMBL824707 0.84 ROCK2 (0.53) FFAR1ROCK2ALDH1A1
SCHEMBL824672 0.84 HPGD (0.41) FFAR1PDE10APTPRCROCK2KIT
SCHEMBL824719 0.84 FFAR1 (0.41) FFAR1PDE10APTPRCROCK2KIT
SCHEMBL824708 0.84 FFAR1 (0.39) FFAR1PDE10APTPRCROCK2KIT
SCHEMBL827517 0.83 PDE10A (0.40) FFAR1PDE10APTPRCKITMAPK1
SCHEMBL824951 0.83 PDE10A (0.40) FFAR1PDE10APTPRCKITMAPK1

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
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

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 3212/4885PTPRC 2940/4885

“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.