SCHEMBL13396604

SCHEMBL13396604

CC(O)C(NC(=O)CCCCCO[N+](=O)[O-])C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.38
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR2 Q92731 1/20 0.34
NOD1 Q9Y239 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ASAH1 Q13510 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
SCHEMBL13396603 0.94 FAAH (0.34) FAAHPLA2G2APLA2G5EPHX2LMNA
SCHEMBL16124647 0.89 FAAH (0.36) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL13396678 0.87 ALDH1A1 (0.42) FAAHPLA2G2APLA2G5MEN1MAPK1
SCHEMBL13396835 0.85 EPHX2 (0.35) FAAHPLA2G2APLA2G5MEN1MAPK1
SCHEMBL13396654 0.85 FAAH (0.50) FAAHMEN1MAPK1KMT2AESR2
SCHEMBL13396838 0.84 PTGS2 (0.36) ESR2
SCHEMBL16124688 0.83 LMNA (0.33) FAAHMEN1MAPK1KMT2ALMNA
SCHEMBL20113578 0.83 KMT2A (0.54) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL13396673 0.82 PTGS2 (0.36) ESR2
SCHEMBL13396728 0.81 ALDH1A1 (0.44) PLA2G2APLA2G5MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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 (2 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 FAAH 1868/4885PLA2G2A 1738/4885PLA2G5 1012/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 FAAH 2102/4885PLA2G2A 1837/4885PLA2G5 1190/4885

“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.