SCHEMBL6153891

SCHEMBL6153891

COc1cc(O[C@H]2CC[C@H](N)CC2)c(Cl)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.41
▸ PDE4B Q07343 4/20 0.41
▸ PDE4C Q08493 4/20 0.41
▸ PDE4D Q08499 4/20 0.41
▸ RORC P51449 1/20 0.41
▸ SCN9A Q15858 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTR4 Q13639 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL6153894 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DRORC
SCHEMBL6153248 0.86 HTR4 (0.51) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL6156277 0.83 ROCK2 (0.52) SCN9AROCK2
SCHEMBL6156273 0.83 ROCK2 (0.52) SCN9AROCK2
SCHEMBL6153553 0.82 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL3876555 0.80 GAA (0.53) GAALRRK2
SCHEMBL6153477 0.80 ROCK2 (0.52) PDE4AGAAHTR4LRRK2ROCK2
SCHEMBL6153479 0.80 ROCK2 (0.52) PDE4AGAAHTR4LRRK2ROCK2
SCHEMBL6153878 0.80 ROCK2 (0.52) PDE4AGAAHTR4LRRK2ROCK2
SCHEMBL12316430 0.78 PDE4B (0.52) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 — — US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 — — 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 PDE4A 1113/4885PDE4B 1288/4885PDE4C 1801/4885

“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.

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