SCHEMBL16124755

SCHEMBL16124755

CCCCCOC(=O)C(N)CC(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
RAD52 P43351 1/20 0.38
FAAH O00519 1/20 0.37
NOD1 Q9Y239 2/20 0.37
PTGS2 P35354 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ESR1 P03372 1/20 0.36
DGKA P23743 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
SCHEMBL6525769 0.93 CA12 (0.43) NPSR1MAPTMAPK1L3MBTL1CA12
SCHEMBL6525770 0.93 CA12 (0.43) NPSR1MAPTMAPK1L3MBTL1CA12
SCHEMBL13397085 0.91 CA12 (0.42) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL16124747 0.87 NAAA (0.42) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL1644712 0.87 NAAA (0.55) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL472925 0.87 NAAA (0.55) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL30179088 0.87 NAAA (0.55) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL15359687 0.86 NOD1 (0.46) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL16124746 0.85 NOD1 (0.47) NPSR1NAAAHTR2CRAD52NOD1
SCHEMBL2981700 0.85 NAAA (0.58) NPSR1MAPTMAPK1L3MBTL1NAAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 NPSR1 50/4885MAPT 2611/4885MAPK1 1298/4885

“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.