SCHEMBL13619915

SCHEMBL13619915

N#Cc1ccc(N(CC(=O)O)/[N+]([O-])=N/O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CTBP2 P56545 1/20 0.40
HTT P42858 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP2 P08253 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAOB P27338 1/20 0.36
HCRTR2 O43614 1/20 0.36
RORC P51449 1/20 0.35
GSK3B P49841 1/20 0.35
SNCA P37840 1/20 0.34
FBP1 P09467 3/20 0.34
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL13619911 0.79 MMP14 (0.45) CA1CA2KMT2AMEN1GSK3B
SCHEMBL16730128 0.77 SLC6A2 (0.36) CA2KMT2AMEN1RORCFBP1
SCHEMBL16727257 0.76 FBP1 (0.35) CTBP2CA1CA2MMP2KMT2A
SCHEMBL14477260 0.74 HTT (0.46) KEAP1NFE2L2CTBP2HTTCA1
SCHEMBL27992760 0.74 HTT (0.46) KEAP1NFE2L2CTBP2HTTCA1
SCHEMBL13619925 0.73 CA1 (0.45) CTBP2CA1CA2KMT2AMEN1
SCHEMBL27992759 0.73 HTT (0.45) KEAP1NFE2L2CTBP2HTTCA1
SCHEMBL13619926 0.72 TSHR (0.42) KEAP1NFE2L2CTBP2CA1CA2
SCHEMBL13619916 0.71 MMP1 (0.38) CTBP2CA1CA2MMP2KMT2A
SCHEMBL13619917 0.71 FBP1 (0.38) CTBP2CA1CA2HCRTR2SNCA

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-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 (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-20090281067-A1 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 KEAP1 42/4885NFE2L2 19/4885CTBP2 1424/4885

“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.