SCHEMBL5409340

SCHEMBL5409340

N#Cc1ccccc1Oc1ccc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.58
LRRK2 Q5S007 2/20 0.55
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
AR P10275 2/20 0.43

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
SCHEMBL378733 0.86 AR (0.46) TRPA1LRRK2ARROCK1
SCHEMBL5410044 0.81 TRPA1 (0.51) TRPA1LRRK2DYRK3CLK1CLK2
SCHEMBL30218816 0.79 PRKCQ (0.54) LRRK2POLBGAAPDE4APDE4B
SCHEMBL28917696 0.79 PRKCQ (0.54) LRRK2POLBGAAPDE4APDE4B
SCHEMBL5413417 0.79 GAA (0.59) TRPA1GAADYRK3CLK1CLK2
SCHEMBL5412496 0.78 TRPA1 (0.54) TRPA1DYRK3CLK1CLK2CLK3
SCHEMBL8132627 0.78 GAA (0.62) LRRK2POLBGAAPDE4APDE4B
SCHEMBL19533525 0.76 DYRK3 (0.57) TRPA1GAADYRK3CLK1CLK2
SCHEMBL5407364 0.76 MEN1 (0.46) TRPA1LRRK2DYRK3CLK1CLK2
SCHEMBL1009577 0.75 POLB (0.48) TRPA1LRRK2POLBGAAPDE4A

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 TRPA1 4808/4885LRRK2 499/4885POLB 3765/4885

“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.