SCHEMBL3399298

SCHEMBL3399298

NCC(=O)NCCCCO[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
CA1 P00915 5/20 0.40
CA12 O43570 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
TSHR P16473 1/20 0.33
AOC3 Q16853 1/20 0.33

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 SCHEMBL3310219 0.98 CA2 (0.39) CA2CA1CA12CA4CA9
Fumaric Acid SCHEMBL9795285 0.86 PDE5A (0.36) CA2CA1CA12CA4CA9
SCHEMBL6519815 0.86 MEN1 (0.38) CA2MEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3310225 0.84 MEN1 (0.36) CA2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10647896 0.81 TSHR (0.43) CA2CA1CA12CA4CA9
SCHEMBL9500025 0.80 TSHR (0.39) CA2CA1CA12CA4CA9
SCHEMBL3304062 0.80 BCHE (0.36) CA2CA1CA12CA4CA9
Fumaric Acid SCHEMBL9795102 0.79 MEN1 (0.38) CA2CA1MEN1KMT2ACYP2C9
SCHEMBL13397195 0.79 DPP7 (0.39) CA2CA1CA12CA4CA9
SCHEMBL9795223 0.78 TSHR (0.40) CA2CA1CA12CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 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
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CA2 2652/4885CA1 4414/4885CA12 4290/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT CA2 1953/4885CA1 4707/4885CA12 4398/4885

“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.