SCHEMBL13396392

SCHEMBL13396392

N=C(N)NCCCC(N)C(=O)Oc1cccc(CCCO[N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ FDFT1 P37268 4/20 0.37
▸ FAAH O00519 1/20 0.35
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL13396434 0.95 MTNR1A (0.36) MTNR1AMTNR1BFDFT1FAAHALOX5
SCHEMBL13105641 0.90 TMEM97 (0.38) —
SCHEMBL13396398 0.89 NPY4R (0.37) —
SCHEMBL13416894 0.85 MTNR1A (0.39) MTNR1AMTNR1BFDFT1FAAH
SCHEMBL13396512 0.84 ACHE (0.40) ALOX5
SCHEMBL13396412 0.84 NPY4R (0.37) —
SCHEMBL13396500 0.82 PTGS1 (0.39) FDFT1ALOX5
SCHEMBL13396358 0.82 ALOX5 (0.42) MTNR1AMTNR1BFDFT1ALOX5
SCHEMBL13416874 0.82 MTNR1A (0.37) MTNR1AMTNR1BFDFT1FAAH
SCHEMBL13396514 0.81 ALOX5 (0.39) MTNR1AMTNR1BFDFT1ALOX5

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 MTNR1A 143/4885MTNR1B 55/4885FDFT1 1553/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 MTNR1A 161/4885MTNR1B 76/4885FDFT1 1243/4885

“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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