SCHEMBL30002705

SCHEMBL30002705

CCc1ccc(C(CN2C(=O)c3ccccc3C2=O)C(=O)Nc2cc3ccncc3s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ROCK2 O75116 10/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ROCK1 Q13464 2/20 0.36
NAMPT P43490 2/20 0.36
MYLK4 Q86YV6 1/20 0.36
RPS6KA2 Q15349 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23501353 0.92 ROCK2 (0.44) ROCK2GAAROCK1NAMPTMYLK4
SCHEMBL30744162 0.92 ROCK2 (0.44) ROCK2GAAROCK1NAMPTMYLK4
SCHEMBL23501355 0.92 ROCK2 (0.44) ROCK2GAAROCK1NAMPTMYLK4
SCHEMBL28915354 0.92 ROCK2 (0.44) ALDH1A1ROCK2THRBROCK1MEN1
SCHEMBL23501278 0.92 ROCK2 (0.44) ALDH1A1ROCK2THRBROCK1MEN1
SCHEMBL30744184 0.92 ROCK2 (0.44) ALDH1A1ROCK2THRBROCK1MEN1
SCHEMBL23501190 0.90 ROCK2 (0.37) ROCK2GAAROCK1NAMPTMYLK4
SCHEMBL23927688 0.90 ROCK2 (0.39) ALDH1A1ROCK2GAAROCK1NAMPT
SCHEMBL23501189 0.90 ROCK2 (0.37) ROCK2GAAROCK1NAMPTMYLK4
SCHEMBL30744200 0.90 ROCK2 (0.37) ROCK2GAAROCK1NAMPTMYLK4

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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 ALDH1A1 3959/4885ROCK2 3/4885CRHBP 3870/4885

“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.