SCHEMBL3310209

SCHEMBL3310209

CC(C)(C)OC(=O)NCC(=O)NCCCCO[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA12 O43570 7/20 0.46
CA9 Q16790 7/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
CYP3A4 P08684 1/20 0.34
MIF P14174 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
SCHEMBL20381100 0.86 TDP1 (0.54) TDP1CA1CA2CA12CA9
SCHEMBL3312327 0.83 CA12 (0.45) TDP1CA1CA2CA12CA9
SCHEMBL14723706 0.82 TDP1 (0.66) TDP1CA1CA2CA12CA9
SCHEMBL3304062 0.80 BCHE (0.36) CA1CA2CA12CA9MEN1
SCHEMBL4048708 0.78 CA12 (0.49) TDP1CA1CA2CA12CA9
SCHEMBL9017485 0.78 TDP1 (0.56) TDP1CA1CA2CA12CA9
SCHEMBL3311637 0.78 TDP1 (0.75) TDP1CA1CA2CA12CA9
SCHEMBL13417159 0.78 TDP1 (0.49) TDP1CA1CA2CA12CA9
SCHEMBL3308060 0.77 CA1 (0.48) TDP1CA1CA2CA12CA9
SCHEMBL3308055 0.77 CA1 (0.48) TDP1CA1CA2CA12CA9

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-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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
EP-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO 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 (3 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 TDP1 2780/4885CA1 4365/4885CA2 2916/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 TDP1 2698/4885CA1 4414/4885CA2 2652/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT TDP1 4548/4885CA1 4707/4885CA2 1953/4885

“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.