SCHEMBL5404948

SCHEMBL5404948

O=C1c2ccccc2C(=O)N1C[C@H]1CCC[C@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TRPA1 O75762 3/20 0.44
ACHE P22303 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KEAP1 Q14145 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5416072 1.00 CYP1B1 (0.49) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL5416078 1.00 CYP1B1 (0.49) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL5404937 1.00 CYP1B1 (0.49) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL5404942 1.00 CYP1B1 (0.49) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL17933679 0.82 CYP1B1 (0.49) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL16513375 0.82 CYP1B1 (0.49) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL21598051 0.81 CYP1A2 (0.54) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL30657539 0.80 CYP1B1 (0.62) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL8247166 0.80 CYP1B1 (0.62) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1
SCHEMBL5413443 0.78 CYP1B1 (0.46) CYP1B1CYP1A2CYP2C9CYP2C19TRPA1

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 CYP1B1 921/4885CYP1A2 2102/4885CYP2C9 3451/4885

“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.