SCHEMBL5409133

SCHEMBL5409133

O=C(O)c1ccccc1Oc1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.53
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
DHODH Q02127 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
JAK2 O60674 3/20 0.46
HAO1 Q9UJM8 2/20 0.46
POLB P06746 1/20 0.46
DYRK3 O43781 2/20 0.46
CLK2 P49760 2/20 0.46
GSK3B P49841 2/20 0.46
CDK5 Q00535 2/20 0.46
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46

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
SCHEMBL5415308 0.86 NPC1 (0.51) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL5423882 0.85 ROCK2 (0.46) MIFROCK2ROCK1CTNNB1WNT3A
SCHEMBL5411305 0.80 TP53 (0.46) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL30752404 0.78 CTNNB1 (0.48) MIFCTNNB1WNT3ADHODHNPC1
SCHEMBL4115298 0.78 CTNNB1 (0.48) MIFCTNNB1WNT3ADHODHNPC1
SCHEMBL19533525 0.78 DYRK3 (0.57) ROCK2ROCK1CTNNB1WNT3ANPC1
SCHEMBL1032471 0.78 MEN1 (0.58) MIFCTNNB1DHODHPOLBESR1
SCHEMBL5413417 0.78 GAA (0.59) ROCK2ROCK1RAB9ADYRK3CLK2
SCHEMBL5413367 0.78 ROCK2 (0.55) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL5407364 0.77 MEN1 (0.46) ROCK2ROCK1CTNNB1WNT3ANPC1

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 MIF 2761/4885ROCK2 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.