SCHEMBL13416746

SCHEMBL13416746

N=C(N)NCCCC(N)C(=O)NCCOCCON(O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ RRM1 P23921 1/20 0.35
▸ NPY4R P50391 7/20 0.34
▸ NPY1R P25929 5/20 0.34
▸ NPY2R P49146 4/20 0.34
▸ NPY5R Q15761 4/20 0.34
▸ CA2 P00918 2/20 0.34
▸ NOS1 P29475 1/20 0.33
▸ TLR2 O60603 5/20 0.32

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
SCHEMBL13416266 0.88 DPP7 (0.47) DPP7MEN1KMT2AGNAI3GNAO1
SCHEMBL13416749 0.87 DPP7 (0.46) DPP7MEN1KMT2AGNAI3GNAO1
SCHEMBL13416888 0.86 NPY4R (0.33) DPP7NPY4RNPY1RNPY2RNPY5R
SCHEMBL14135433 0.83 GNAI3 (0.51) DPP7MEN1KMT2AGNAI3GNAO1
SCHEMBL22903238 0.82 DPP7 (0.46) DPP7MEN1KMT2AGNAI3GNAO1
SCHEMBL13396385 0.81 NOS1 (0.41) DPP7MEN1KMT2AGNAI3GNAO1
SCHEMBL23626315 0.79 DPP7 (0.61) DPP7MEN1KMT2AGNAI3GNAO1
SCHEMBL23610947 0.79 DPP7 (0.61) DPP7MEN1KMT2AGNAI3GNAO1
SCHEMBL10727004 0.79 DPP7 (0.50) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL13416254 0.78 MEN1 (0.45) DPP7MEN1KMT2ACA2TLR2

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 DPP7 3437/4885MEN1 615/4885KMT2A 4459/4885

“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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