SCHEMBL14123717

SCHEMBL14123717

N=C(NCCC[C@H](N)C(=O)N[C@@H](CCN)C(N)=O)N[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.48
NPY4R P50391 11/20 0.38
NPY1R P25929 6/20 0.38
NPY2R P49146 4/20 0.38
NPY5R Q15761 4/20 0.38
DPP7 Q9UHL4 2/20 0.36
RRM1 P23921 1/20 0.36
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MEN1 O00255 1/20 0.33
NOS3 P29474 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL607060 0.82 NOS1 (0.46) NOS1DPP7MEN1NOS3KMT2A
SCHEMBL5983469 0.82 NOS1 (0.46) NOS1DPP7MEN1NOS3KMT2A
Nitroarginine SCHEMBL881062 0.77 NOS1 (0.48) NOS1NOS3
Nitroarginine SCHEMBL28365071 0.77 NOS1 (0.48) NOS1NOS3
Nitroarginine SCHEMBL345312 0.77 NOS1 (0.48) NOS1NOS3
SCHEMBL608402 0.76 NOS1 (0.49) NOS1NPY4RNPY1RNPY2RNPY5R
SCHEMBL24121685 0.76 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL29947113 0.76 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL31467756 0.75 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL10190207 0.74 DPP7 (0.44) NOS1NPY4RNPY1RNPY2RNPY5R

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-20080176907-A1 NOS Inhibitors For Treatment Of Motor Deficit Disorders NORTHWESTERN UNIVERSITY (US) 2008-07-24 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-20080176907-A1 NOS Inhibitors For Treatment Of Motor Deficit Disorders NOS1, NOS3, SMN1; SMN2 NOS1 1/4885NPY4R 2337/4885NPY1R 2030/4885

“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.