SCHEMBL13397115

SCHEMBL13397115

CC(C)(C)OC(=O)NC(COC(=O)CCCCCO[N+](=O)[O-])COC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
MAPT P10636 2/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CTSK P43235 3/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL16124756 0.96 MAPT (0.41) MAPTCTSKALDH1A1LMNAKDM4E
SCHEMBL13397796 0.94 PLA2G2A (0.33) CA1CA2CA7MAPTCA12
SCHEMBL3306254 0.87 AAK1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL3310051 0.82 ATM (0.51) CTSK
SCHEMBL3310047 0.82 ATM (0.51) CTSK
SCHEMBL3310054 0.82 ATM (0.51) CTSK
SCHEMBL2860968 0.81 MAPT (0.53) MAPTCTSKALDH1A1LMNAKDM4E
SCHEMBL4055080 0.81 CA12 (0.45) CA1CA2CA12CA9MEN1
SCHEMBL13416352 0.81 CA1 (0.37) CA1CA2CA7MAPTCA12
SCHEMBL4055086 0.81 MAPT (0.35) CA1CA2MAPTCA12CA9

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 CA1 4365/4885CA2 2916/4885CA7 4219/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CA1 4414/4885CA2 2652/4885CA7 4304/4885

“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.