SCHEMBL13416563

SCHEMBL13416563

N=C(N)NCCCC(N)C(=O)OCCCCCCON(O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.36
▸ NPY4R P50391 5/20 0.33
▸ NPY1R P25929 3/20 0.33
▸ ACHE P22303 6/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31
▸ OTC P00480 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ GNAI3 P08754 1/20 0.30
▸ GNAO1 P09471 1/20 0.30
▸ GNAI1 P63096 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ALB P02768 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
SCHEMBL14135402 1.00 NOD1 (0.36) NOD1NPY4RNPY1RACHEMEN1
SCHEMBL13416559 0.99 NOD1 (0.34) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13416558 0.96 NPY4R (0.34) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13541443 0.90 NOD1 (0.40) NOD1NPY4RNPY1RACHEMEN1
SCHEMBL13416748 0.88 NPY4R (0.33) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL13416888 0.88 NPY4R (0.33) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL28718702 0.87 DPP7 (0.39) NOD1NPY4RNPY1RACHEMEN1
SCHEMBL13416749 0.87 DPP7 (0.46) NOD1NPY4RNPY1RMEN1CYP1A2
SCHEMBL8414057 0.86 NPY4R (0.38) NOD1NPY4RNPY1RMEN1CYP1A2
SCHEMBL13416266 0.85 DPP7 (0.47) NOD1NPY4RNPY1RMEN1CYP1A2

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — WO 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 NOD1 1292/4885NPY4R 1635/4885NPY1R 800/4885

“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.

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