SCHEMBL23927587

SCHEMBL23927587

O=C(O)CC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
TET2 Q6N021 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
TET3 O43151 1/20 0.32
CYP1A2 P05177 2/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 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
SCHEMBL13685896 1.00 PTGS2 (0.39) PTGS2PTGS1MEN1LMNABLM
SCHEMBL398591 0.90 PTGS2 (0.38) PTGS2PTGS1MEN1LMNABLM
SCHEMBL636113 0.90 PTGS2 (0.38) PTGS2PTGS1MEN1LMNABLM
SCHEMBL398399 0.90 PTGS2 (0.38) PTGS2PTGS1MEN1LMNABLM
SCHEMBL13216744 0.88 PTGS1 (0.37) PTGS2PTGS1MEN1LMNABLM
SCHEMBL4587252 0.88 PTGS2 (0.38) PTGS2PTGS1GSR
SCHEMBL4587231 0.88 PTGS2 (0.38) PTGS2PTGS1GSR
SCHEMBL13979203 0.84 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL5154159 0.82 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL5151084 0.82 PTGS2 (0.37) PTGS2PTGS1

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 PTGS2 945/4885PTGS1 439/4885MEN1 1496/4885

“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.