SCHEMBL23927597

SCHEMBL23927597

O=C(O)c1ccc(CCO[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.44
RARB P10826 6/20 0.44
SRD5A2 P31213 3/20 0.43
PLA2G4B P0C869 1/20 0.43
MEN1 O00255 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
FBP1 P09467 1/20 0.41

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
SCHEMBL3025585 0.90 RARB (0.49) TDP1ALDH1A1RARBPLA2G4BMEN1
SCHEMBL8957443 0.85 TSHR (0.42) ALDH1A1TSHRCA12CA1CA2
SCHEMBL186313 0.82 CA12 (0.56) TDP1ALDH1A1SRD5A2PLA2G4BCA12
SCHEMBL4586798 0.81 FFAR1 (0.41) TDP1ALDH1A1MAPTTSHRCA1
SCHEMBL23927696 0.81 FOLH1 (0.50) TP53FBP1
SCHEMBL16599398 0.81 ALOX5 (0.50) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL5150873 0.80 TSHR (0.44) MEN1KMT2ATSHRCA12CA1
SCHEMBL1491311 0.80 CA1 (0.46) TDP1CA12CA1CA2CA9
SCHEMBL23927634 0.79 RARB (0.43) TDP1ALDH1A1RARBTSHR
SCHEMBL8957481 0.78 PKM (0.64) ALDH1A1RARBPLA2G4BTP53TSHR

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 TDP1 799/4885ALDH1A1 3959/4885RARB 3229/4885

“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.