SCHEMBL824810

SCHEMBL824810

O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)OCCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
FFAR1 O14842 1/20 0.42
MGLL Q99685 4/20 0.39
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
PTPN1 P18031 2/20 0.37
PTPRC P08575 1/20 0.37
RECQL P46063 1/20 0.35
BTK Q06187 1/20 0.35
ENPP2 Q13822 1/20 0.35
KIT P10721 1/20 0.35
BRD4 O60885 1/20 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
SCHEMBL824707 0.92 ROCK2 (0.53) ROCK2FFAR1MGLLNPC1RAB9A
SCHEMBL824718 0.89 FFAR1 (0.39) ROCK2FFAR1PDE10AMAPTPTPRC
SCHEMBL824719 0.88 FFAR1 (0.41) ROCK2FFAR1PDE10AALDH1A1MAPT
SCHEMBL824812 0.87 FFAR1 (0.40) ROCK2FFAR1PDE10APTPRCKIT
SCHEMBL824815 0.87 ROCK2 (0.41) ROCK2FFAR1MGLLPDE10ANPC1
SCHEMBL824672 0.87 HPGD (0.41) ROCK2FFAR1PDE10ANPC1RAB9A
SCHEMBL824966 0.86 ROCK2 (0.40) ROCK2FFAR1MGLLPDE10ANPC1
SCHEMBL824611 0.85 KIT (0.42) ROCK2FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL824743 0.84 RAB9A (0.40) FFAR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL824799 0.82 SMN1; SMN2 (0.42) ROCK2FFAR1PDE10ASMN1; SMN2ALDH1A1

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 ROCK2 2550/4885FFAR1 452/4885MGLL 4624/4885

“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.