SCHEMBL13396358

SCHEMBL13396358

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.42
▸ ACHE P22303 4/20 0.38
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA4 P22748 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ FDFT1 P37268 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 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
SCHEMBL13396357 0.93 ALOX5 (0.44) ALOX5ACHEPTGS2PTGS1
SCHEMBL13396514 0.90 ALOX5 (0.39) ALOX5ACHEPTGS2PTGS1CA12
SCHEMBL13396460 0.89 ALOX5 (0.39) ALOX5ACHEPTGS2PTGS1CA12
SCHEMBL13396500 0.87 PTGS1 (0.39) ALOX5PTGS2PTGS1FDFT1PPARG
SCHEMBL13396512 0.87 ACHE (0.40) ALOX5ACHEPTGS2PTGS1
SCHEMBL13396388 0.86 CA12 (0.39) PTGS2CA12CA1CA2CA4
SCHEMBL13396433 0.85 ALOX5 (0.39) ALOX5ACHEPTGS2PTGS1
SCHEMBL13396518 0.84 ALOX5 (0.41) ALOX5ACHEPTGS2PTGS1MTNR1A
SCHEMBL13396392 0.82 MTNR1A (0.38) ALOX5FDFT1MTNR1AMTNR1B
SCHEMBL13396490 0.82 ALOX5 (0.40) ALOX5ACHEPTGS2PTGS1PPARG

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 ALOX5 49/4885ACHE 394/4885PTGS2 15/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ALOX5 72/4885ACHE 540/4885PTGS2 12/4885

“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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