SCHEMBL5407364

SCHEMBL5407364

OCc1ccccc1Oc1ccc2[nH]ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPA1 O75762 2/20 0.45
CLK2 P49760 2/20 0.43
GSK3B P49841 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
CLK3 P49761 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
ROCK1 Q13464 4/20 0.43
ROCK2 O75116 3/20 0.43
CCR2 P41597 2/20 0.43
NPC1 O15118 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL5417525 0.83 SLC6A4 (0.55) MEN1KMT2ATRPA1
Hydrochloric Acid SCHEMBL5417304 0.82 SLC6A4 (0.54) MEN1KMT2ATRPA1
SCHEMBL5413417 0.79 GAA (0.59) MEN1KMT2ATRPA1CLK2GSK3B
Hydrochloric Acid SCHEMBL5419972 0.78 MAOA (0.45) MEN1KMT2ATRPA1ROCK1ROCK2
SCHEMBL5409133 0.77 MIF (0.53) MEN1KMT2ACLK2GSK3BCDK5
SCHEMBL19533525 0.76 DYRK3 (0.57) MEN1KMT2ATRPA1CLK2GSK3B
SCHEMBL5409340 0.76 TRPA1 (0.58) TRPA1CLK2GSK3BCDK5DYRK1A
SCHEMBL16004752 0.75 ROCK1 (0.43) MEN1KMT2ATRPA1ROCK1ROCK2
SCHEMBL5415308 0.74 NPC1 (0.51) MEN1KMT2AROCK1ROCK2NPC1
SCHEMBL5413450 0.74 NOS1 (0.52) MEN1KMT2ATRPA1CLK2GSK3B

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 MEN1 2593/4885KMT2A 2296/4885TRPA1 4808/4885

“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.