SCHEMBL23927556

SCHEMBL23927556

O=C(O)C(CCCO[N+](=O)[O-])Cc1ccc(C(CN2C(=O)c3ccccc3C2=O)C(=O)Nc2cc3ccncc3s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.40
ROCK1 Q13464 10/20 0.40
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NAMPT P43490 1/20 0.32
MMP1 P03956 1/20 0.31

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
SCHEMBL23927589 0.90 ROCK2 (0.43) ROCK2ROCK1NAMPT
SCHEMBL23927640 0.89 ROCK2 (0.40) ROCK2ROCK1NAMPT
SCHEMBL23927637 0.89 ROCK2 (0.40) ROCK2ROCK1NAMPT
SCHEMBL23927567 0.87 ROCK2 (0.43) ROCK2ROCK1NAMPT
SCHEMBL23927564 0.87 ROCK2 (0.43) ROCK2ROCK1NAMPT
SCHEMBL23927555 0.86 ROCK2 (0.56) ROCK2ROCK1
Nitric Acid SCHEMBL28410698 0.83 ROCK2 (0.39) ROCK2ROCK1ALDH1A1NAMPT
SCHEMBL23927688 0.81 ROCK2 (0.39) ROCK2ROCK1ALDH1A1TSHRNAMPT
SCHEMBL23501355 0.81 ROCK2 (0.44) ROCK2ROCK1NAMPT
SCHEMBL23501353 0.81 ROCK2 (0.44) ROCK2ROCK1NAMPT

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
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 CN 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 1/4885ALDH1A1 3959/4885

“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.