SCHEMBL5413136

SCHEMBL5413136

O=C(NCc1cccc(F)c1)c1ccc2[nH]ncc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.67
ROCK2 O75116 9/20 0.60
ROCK1 Q13464 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
DYRK3 O43781 1/20 0.60
MAP4K4 O95819 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CLK2 P49760 1/20 0.60
CSNK2A1 P68400 1/20 0.60
DYRK1A Q13627 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
CTNNB1 P35222 1/20 0.53
WNT3A P56704 1/20 0.53
METTL3 Q86U44 1/20 0.53
MAPK1 P28482 1/20 0.52
TP53 P04637 2/20 0.52
DDR2 Q16832 1/20 0.52
NAMPT P43490 1/20 0.51

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
SCHEMBL5442402 0.92 MAOB (0.74) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL5413161 0.89 MAOB (0.67) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL5413102 0.87 MAOB (0.71) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL5179231 0.87 MAOB (0.70) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL5413685 0.86 MAOB (0.67) MAOBROCK2ROCK1CTNNB1WNT3A
SCHEMBL5412578 0.86 MAOB (0.67) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL5409267 0.85 DDR2 (0.69) MAOBROCK2ROCK1RAB9AMETTL3
SCHEMBL5441326 0.85 MAOB (0.79) MAOBROCK2ROCK1DYRK3MAP4K4
SCHEMBL5409709 0.85 MAOB (0.71) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL5414932 0.83 ROCK2 (0.68) MAOBROCK2ROCK1NPC1RAB9A

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 2025/4885ROCK2 2/4885ROCK1 1/4885

“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.