SCHEMBL5409709

SCHEMBL5409709

O=C(NCc1ccc(F)c(F)c1)c1ccc2[nH]ncc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.71
MAPK1 P28482 2/20 0.56
ROCK2 O75116 7/20 0.56
ROCK1 Q13464 5/20 0.56
METTL3 Q86U44 1/20 0.53
NAMPT P43490 3/20 0.52
CTNNB1 P35222 2/20 0.51
WNT3A P56704 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PRKACA P17612 2/20 0.48
RPS6KB1 P23443 2/20 0.48
PRKX P51817 2/20 0.48
PRKG2 Q13237 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
SGK2 Q9HBY8 2/20 0.48
AURKA O14965 1/20 0.48
DYRK3 O43781 1/20 0.48
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48

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
SCHEMBL5441326 0.89 MAOB (0.79) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5413102 0.88 MAOB (0.71) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5413161 0.85 MAOB (0.67) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5442402 0.85 MAOB (0.74) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5413136 0.85 MAOB (0.67) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5409324 0.84 MAOB (0.72) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5417278 0.83 MAOB (0.71) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5406113 0.83 MAOB (0.71) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5179231 0.83 MAOB (0.70) MAOBMAPK1ROCK2ROCK1METTL3
SCHEMBL5412689 0.82 MAOB (0.67) MAOBMAPK1ROCK2ROCK1METTL3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAOB 2025/4885MAPK1 27/4885ROCK2 2/4885

“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.