SCHEMBL13396512

SCHEMBL13396512

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.40
▸ ALOX5 P09917 1/20 0.38
▸ EPOR P19235 2/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ ARF6 P62330 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 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
SCHEMBL13396417 0.95 ACHE (0.40) ACHEALOX5EPORLTA4HPRSS1
SCHEMBL13396500 0.88 PTGS1 (0.39) ALOX5LTA4HPTGS2PTGS1
SCHEMBL13396462 0.87 ITGB3 (0.39) LTA4HPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13396358 0.87 ALOX5 (0.42) ACHEALOX5PTGS2PTGS1
SCHEMBL13396514 0.86 ALOX5 (0.39) ACHEALOX5PTGS2PTGS1
SCHEMBL13396433 0.86 ALOX5 (0.39) ACHEALOX5PTGS2PTGS1
SCHEMBL13396460 0.85 ALOX5 (0.39) ACHEALOX5PTGS2PTGS1
SCHEMBL13396392 0.84 MTNR1A (0.38) ALOX5
SCHEMBL14135115 0.83 ACHE (0.44) ACHEEPORLTA4HPRSS1PRSS2
SCHEMBL16124597 0.82 ACHE (0.48) ACHEEPORLTA4HMAPK1L3MBTL1

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 ACHE 394/4885ALOX5 49/4885EPOR 503/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ACHE 540/4885ALOX5 72/4885EPOR 669/4885

“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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