SCHEMBL3305810

SCHEMBL3305810

NC(CCc1ccccc1)C(=O)OCCCO[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
GRIK1 P39086 1/20 0.40
ANPEP P15144 3/20 0.38
ERAP1 Q9NZ08 3/20 0.38
ERAP2 Q6P179 2/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
MEN1 O00255 1/20 0.37

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
Hydrochloric Acid SCHEMBL3305333 0.99 LMNA (0.43) LMNAPTGS1PTGS2CA12CA1
Hydrochloric Acid SCHEMBL4430268 0.99 LMNA (0.43) LMNAPTGS1PTGS2CA12CA1
SCHEMBL3307185 0.97 PTGS1 (0.46) LMNAPTGS1PTGS2CA12CA1
Hydrochloric Acid SCHEMBL3303742 0.96 PTGS1 (0.45) LMNAPTGS1PTGS2CA12CA1
SCHEMBL28758664 0.87 PTGS1 (0.47) LMNAPTGS1PTGS2CA12CA1
SCHEMBL3309307 0.85 PTGS1 (0.41) LMNAPTGS1PTGS2GRIK1ANPEP
SCHEMBL28432701 0.85 PTGS1 (0.42) LMNAPTGS1PTGS2CA12CA1
SCHEMBL3310195 0.84 PTGS2 (0.49) LMNAPTGS1PTGS2CA12CA1
SCHEMBL3310196 0.84 PTGS2 (0.49) LMNAPTGS1PTGS2CA12CA1
Hydrochloric Acid SCHEMBL3306995 0.84 PTGS1 (0.40) LMNAPTGS1PTGS2GRIK1ANPEP

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US claimed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US claimed
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP claimed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 WO claimed
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
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP 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 (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 LMNA 4506/4885PTGS1 8/4885PTGS2 15/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 LMNA 4585/4885PTGS1 7/4885PTGS2 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.