SCHEMBL13619925

SCHEMBL13619925

N#Cc1ccc(N(c2ccc(C(=O)O)cc2)/[N+]([O-])=N/O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TAS2R14 Q9NYV8 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
MAP4K4 O95819 1/20 0.39
GSK3B P49841 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTBP2 P56545 1/20 0.37
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
POLB P06746 1/20 0.36
AR P10275 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
RARA P10276 1/20 0.36

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
SCHEMBL13619918 0.87 TDP1 (0.47) CA1CA2KMT2AMEN1NPC1
SCHEMBL13619926 0.84 TSHR (0.42) CA1CA2KMT2AMEN1NPC1
SCHEMBL216706 0.77 CA2 (0.64) CA1CA2TAS2R14MAP4K4GSK3B
SCHEMBL16727260 0.76 MMP2 (0.36) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL5442610 0.75 TAS2R14 (0.47) CA1CA2TAS2R14KMT2AMEN1
SCHEMBL20764505 0.75 RARB (0.58) CA1CA2TAS2R14MAP4K4GSK3B
Ammonia Solution, Strong SCHEMBL22265084 0.75 CA2 (0.61) CA1CA2TAS2R14MAP4K4GSK3B
SCHEMBL15347438 0.75 CA2 (0.61) CA1CA2TAS2R14MAP4K4GSK3B
SCHEMBL11453092 0.75 CA2 (0.61) CA1CA2TAS2R14MAP4K4GSK3B
SCHEMBL28435413 0.75 CA2 (0.61) CA1CA2TAS2R14MAP4K4GSK3B

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 CA1 2401/4885CA2 3117/4885TAS2R14 4758/4885

“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.