SCHEMBL824672

SCHEMBL824672

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
KIT P10721 1/20 0.41
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
MAPT P10636 1/20 0.37
F2R P25116 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PTGES O14684 1/20 0.36
PTPRC P08575 1/20 0.36
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
BRD4 O60885 1/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 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
SCHEMBL824743 0.94 RAB9A (0.40) HPGDKITFFAR1ALDH1A1SMN1; SMN2
SCHEMBL824611 0.92 KIT (0.42) HPGDKITFFAR1ALDH1A1SMN1; SMN2
SCHEMBL824719 0.92 FFAR1 (0.41) KITFFAR1ALDH1A1ROCK2MAPT
SCHEMBL824812 0.91 FFAR1 (0.40) KITFFAR1ROCK2PIK3C3PDE10A
SCHEMBL824718 0.89 FFAR1 (0.39) KITFFAR1ROCK2MAPTPIK3C3
SCHEMBL824799 0.88 SMN1; SMN2 (0.42) KITFFAR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL824710 0.87 FFAR1 (0.40) KITFFAR1ALDH1A1ROCK2MAPT
SCHEMBL824707 0.87 ROCK2 (0.53) FFAR1ALDH1A1SMN1; SMN2ROCK2MAPT
SCHEMBL824810 0.87 ROCK2 (0.45) KITFFAR1ALDH1A1SMN1; SMN2ROCK2
SCHEMBL824708 0.86 FFAR1 (0.39) KITFFAR1MAPK1ROCK2PIK3C3

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 HPGD 1453/4885KIT 4832/4885FFAR1 452/4885

“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.