SCHEMBL3023784

SCHEMBL3023784

COc1cccc([C@H](C)NC(=O)c2ccc3cc(C(=O)NO)ccc3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 15/20 0.64
ROCK2 O75116 14/20 0.64
PRKG1 Q13976 7/20 0.64
PRKACA P17612 6/20 0.64
GSK3A P49840 5/20 0.64
GSK3B P49841 5/20 0.64
PRKX P51817 5/20 0.64
CYP3A4 P08684 4/20 0.64
RPS6KB1 P23443 4/20 0.64
MAPK1 P28482 4/20 0.64
PRKCD Q05655 4/20 0.64
PKN2 Q16513 4/20 0.64
CLK4 Q9HAZ1 4/20 0.64
SGK2 Q9HBY8 4/20 0.64
RPS6KA5 O75582 3/20 0.64
CDK2 P24941 3/20 0.64
AKT2 P31751 3/20 0.64
PRKG2 Q13237 3/20 0.64
CDC42BPA Q5VT25 3/20 0.64
HIPK4 Q8NE63 3/20 0.64

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
SCHEMBL3032715 1.00 ROCK1 (0.64) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL2408586 0.86 CA1 (0.59) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL2407090 0.86 CA1 (0.59) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL2412518 0.86 GPR139 (0.65) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL3036088 0.84 ALDH1A1 (0.64) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL29742390 0.83 ROCK1 (0.71) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL28642442 0.83 ROCK1 (0.71) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL5007649 0.82 ROCK2 (0.63) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL1319215 0.81 GPR139 (0.65) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL29342884 0.81 ROCK2 (0.62) ROCK1ROCK2PRKG1PRKACAGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 ROCK1 4393/4885ROCK2 4323/4885PRKG1 4658/4885

“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.