SCHEMBL16124688

SCHEMBL16124688

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 2/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.31
NLRP1 Q9C000 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL16124647 0.94 FAAH (0.36) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13396603 0.89 FAAH (0.34) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13396604 0.83 FAAH (0.38) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16124619 0.82 PTGS2 (0.39) PTGS2ESR2
SCHEMBL2011698 0.82 MEN1 (0.49) DPP4MEN1FAAHMAPK1KMT2A
SCHEMBL16124618 0.81 PTGS2 (0.38) PTGS2
SCHEMBL13396728 0.78 ALDH1A1 (0.44) CYP2C9CYP2C19MEN1MAPK1KMT2A
SCHEMBL13396822 0.78 FAAH (0.46) MEN1FAAHMAPK1KMT2AESR2
SCHEMBL2009659 0.77 MEN1 (0.51) DPP4PTGS2MEN1FAAHMAPK1
SCHEMBL20113578 0.76 KMT2A (0.54) DPP4MEN1FAAHMAPK1KMT2A

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 LMNA 4506/4885CYP3A4 543/4885CYP2D6 1139/4885

“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.