SCHEMBL5405635

SCHEMBL5405635

O=C(NC1CCCCC1O)c1ccc2[nH]ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.57
MAPK14 Q16539 1/20 0.53
ROCK2 O75116 3/20 0.53
ROCK1 Q13464 3/20 0.53
MAOB P27338 5/20 0.48
POLB P06746 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AKT1 P31749 1/20 0.45
CNR1 P21554 2/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKG1 Q13976 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SGK2 Q9HBY8 1/20 0.44
STK17A Q9UEE5 1/20 0.44

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
SCHEMBL5409687 1.00 TDO2 (0.57) TDO2MAPK14ROCK2ROCK1MAOB
SCHEMBL5417028 0.87 ROCK2 (0.52) TDO2MAPK14ROCK2ROCK1MAOB
SCHEMBL5417444 0.87 TAS1R3 (0.57) MAPK14ROCK2ROCK1POLB
SCHEMBL5404931 0.87 ROCK2 (0.54) MAPK14ROCK2ROCK1MAOBPOLB
SCHEMBL5409227 0.87 ROCK2 (0.52) TDO2MAPK14ROCK2ROCK1MAOB
SCHEMBL5409232 0.87 ROCK2 (0.52) TDO2MAPK14ROCK2ROCK1MAOB
SCHEMBL5412833 0.85 ROCK2 (0.53) MAPK14ROCK2ROCK1MAOBPOLB
SCHEMBL5407422 0.85 ROCK2 (0.53) MAPK14ROCK2ROCK1MAOBPOLB
SCHEMBL5407417 0.85 ROCK2 (0.53) MAPK14ROCK2ROCK1MAOBPOLB
SCHEMBL5412477 0.85 MAPK14 (0.66) MAPK14ROCK2ROCK1MAOBPOLB

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 TDO2 3615/4885MAPK14 156/4885ROCK2 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.