SCHEMBL23927688

SCHEMBL23927688

O=C(O)Cc1ccc(C(CN2C(=O)c3ccccc3C2=O)C(=O)Nc2cc3ccncc3s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.39
ROCK1 Q13464 2/20 0.37
NAMPT P43490 2/20 0.36
MYLK4 Q86YV6 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
IKBKB O14920 1/20 0.35
TSHR P16473 1/20 0.34

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 0.91 ROCK2 (0.44) ROCK2ROCK1NAMPTMYLK4GAA
SCHEMBL30744162 0.91 ROCK2 (0.44) ROCK2ROCK1NAMPTMYLK4GAA
SCHEMBL23501355 0.91 ROCK2 (0.44) ROCK2ROCK1NAMPTMYLK4GAA
SCHEMBL30002705 0.90 ALDH1A1 (0.38) ROCK2ROCK1NAMPTMYLK4ALDH1A1
SCHEMBL23501189 0.90 ROCK2 (0.37) ROCK2ROCK1NAMPTMYLK4GAA
SCHEMBL30744188 0.90 ROCK2 (0.37) ROCK2ROCK1NAMPTMYLK4GAA
SCHEMBL23501190 0.90 ROCK2 (0.37) ROCK2ROCK1NAMPTMYLK4GAA
SCHEMBL30744200 0.90 ROCK2 (0.37) ROCK2ROCK1NAMPTMYLK4GAA
SCHEMBL28573833 0.90 ROCK2 (0.38) ROCK2ROCK1ALDH1A1MEN1GAA
SCHEMBL23501411 0.89 ROCK2 (0.43) ROCK2ROCK1ALDH1A1MEN1GAA

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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 ROCK2 3/4885ROCK1 1/4885NAMPT 858/4885

“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.