SCHEMBL23927689

SCHEMBL23927689

O=C(O)C1CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
APLNR P35414 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
NLRP3 Q96P20 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
SCHEMBL14962472 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23927701 0.68 GSR (0.31) ALDH1A1
SCHEMBL23927677 0.68 GSR (0.31) ALDH1A1
SCHEMBL23927675 0.68 GSR (0.31) ALDH1A1
SCHEMBL2593997 0.67 CYP2C19 (0.33) CYP2C19ALDH1A1
SCHEMBL23927591 0.67 PLG (0.47) CYP2C19ALDH1A1
SCHEMBL23927593 0.67 PLG (0.47) CYP2C19ALDH1A1
SCHEMBL23927604 0.66 CYP2C19 (0.55) CYP2C19APLNRALDH1A1KDM4ECYP1A2
SCHEMBL9803653 0.66 ALDH1A1 (0.36) ALDH1A1
SCHEMBL23539178 0.65 CYP2C19 (0.43) CYP2C19APLNRALDH1A1KDM4ECYP1A2

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 CYP2C19 678/4885APLNR 4744/4885ALDH1A1 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.