SCHEMBL23927696

SCHEMBL23927696

O=C(O)c1cccc(CCO[N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
TP53 P04637 3/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NR4A2 P43354 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MRGPRX4 Q96LA9 6/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FBP1 P09467 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL220610 0.84 TMEM97 (0.57) FOLH1TP53TMEM97MRGPRX4PKM
SCHEMBL23927597 0.81 TDP1 (0.47) TP53FBP1
SCHEMBL27862914 0.80 FOLH1 (0.54) FOLH1TP53FBP1
SCHEMBL13242607 0.79 ALOX5 (0.45) PTGS1PTGS2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL20377308 0.79 TP53 (0.49) TP53PTGS1PTGS2KDM4EFBP1
SCHEMBL1491311 0.78 CA1 (0.46) PTGS1PTGS2RAB9A
SCHEMBL371526 0.78 FOLH1 (0.70) FOLH1NR4A2MRGPRX4
SCHEMBL8957369 0.78 KMT2A (0.61) NR4A2PKMKDM4E
SCHEMBL15941603 0.78 KMT2A (0.61) NR4A2SMN1; SMN2KDM4E
SCHEMBL27668384 0.78 FOLH1 (0.56) FOLH1TP53NR4A2MRGPRX4PKM

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 5 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
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 FOLH1 4246/4885TP53 1347/4885PTGS1 439/4885

“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.