SCHEMBL23501445

SCHEMBL23501445

O=C(Nc1cc2ccncc2s1)C(CN1C(=O)c2ccccc2C1=O)c1ccc(C(O)CO)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.36
ROCK1 Q13464 2/20 0.36
MYLK4 Q86YV6 1/20 0.34
GAA P10253 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL30744207 1.00 ROCK2 (0.36) ROCK2ROCK1MYLK4GAAICAM1
SCHEMBL23927702 0.91 ROCK2 (0.37) ROCK2ROCK1GAAALDH1A1L3MBTL1
SCHEMBL23501355 0.90 ROCK2 (0.44) ROCK2ROCK1MYLK4GAANAMPT
SCHEMBL30744162 0.90 ROCK2 (0.44) ROCK2ROCK1MYLK4GAANAMPT
SCHEMBL23501353 0.90 ROCK2 (0.44) ROCK2ROCK1MYLK4GAANAMPT
SCHEMBL30744194 0.90 ROCK2 (0.43) ROCK2ROCK1GAAALDH1A1L3MBTL1
SCHEMBL28915354 0.90 ROCK2 (0.44) ROCK2ROCK1ALDH1A1MEN1HTT
SCHEMBL23501411 0.90 ROCK2 (0.43) ROCK2ROCK1GAAALDH1A1L3MBTL1
SCHEMBL23501278 0.90 ROCK2 (0.44) ROCK2ROCK1ALDH1A1MEN1HTT
SCHEMBL30744184 0.90 ROCK2 (0.44) ROCK2ROCK1ALDH1A1MEN1HTT

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 4 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
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
WO-2021115495-A1 SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND 维眸生物科技(上海)有限公司 2021-06-17 WO 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 1/4885MYLK4 127/4885

“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.