SCHEMBL13619924

SCHEMBL13619924

O=C1c2ccccc2C(=O)N1/[N+]([O-])=N/O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SCN2A Q99250 2/20 0.42
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CA12 O43570 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CASP3 P42574 1/20 0.36
CYP1A2 P05177 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35

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
SCHEMBL891427 0.76 SCN2A (0.50) POLBSCN2AALDH1A1KMT2AGAA
SCHEMBL29025238 0.74 SCN2A (0.44) POLBSCN2ACA9ALDH1A1CA12
SCHEMBL11665539 0.73 EHMT2 (0.45) POLBSCN2ACA9ALDH1A1CA12
SCHEMBL454827 0.69 POLB (0.67) POLBCA9CA12KMT2AGAA
Nitric Acid SCHEMBL11839157 0.67 CASP3 (0.61) SCN2AALDH1A1KMT2AHTTCASP3
SCHEMBL28160078 0.66 POLB (0.64) POLBCA9CA12KMT2AGAA
SCHEMBL2022462 0.66 POLB (0.64) POLBCA9CA12KMT2AGAA
SCHEMBL29361703 0.64 ERCC1 (0.62) POLBSCN2ACA9ALDH1A1CA12
SCHEMBL1410 0.64 ERCC1 (0.62) POLBSCN2ACA9ALDH1A1CA12
SCHEMBL710689 0.64 ERCC1 (0.62) POLBSCN2ACA9ALDH1A1CA12

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-10273202-B2 Nitroxyl progenitor compounds and methods of use THE JOHNS HOPKINS UNIVERSITY (US) 2019-04-30 US disclosed
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 US 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 (3 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-20090281067-A1 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 POLB 828/4885SCN2A 2536/4885CA9 1208/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 POLB 828/4885SCN2A 2536/4885CA9 1208/4885
US-10273202-B2 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 POLB 828/4885SCN2A 2536/4885CA9 1208/4885

“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.