SCHEMBL23927591

SCHEMBL23927591

O=C(O)[C@H]1CC[C@H](CO[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
LMNA P02545 1/20 0.47
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VCP P55072 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL23927593 1.00 PLG (0.47) PLGPLATLMNAANPEPENPEP
SCHEMBL23829716 0.84
SCHEMBL9875012 0.84 ALDH1A1 (0.40) ALDH1A1TSHRMMP2MMP9GSR
SCHEMBL6438537 0.84 ALDH1A1 (0.40) ALDH1A1TSHRMMP2MMP9GSR
SCHEMBL23927701 0.83 GSR (0.31) PLGPLATLMNAALDH1A1GSR
SCHEMBL23927675 0.83 GSR (0.31) PLGPLATLMNAALDH1A1GSR
SCHEMBL23927677 0.83 GSR (0.31) PLGPLATLMNAALDH1A1GSR
SCHEMBL9799676 0.77 GABRP (0.40) KMT2ACYP2C9MEN1ALDH1A1GABRP
SCHEMBL16599034 0.76 ELANE (0.50) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL8957450 0.76

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 PLG 4045/4885PLAT 4227/4885LMNA 3674/4885

“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.