SCHEMBL13396992

SCHEMBL13396992

NC(COC(=O)NCCCCO[N+](=O)[O-])C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A1 P43005 1/20 0.33
ANPEP P15144 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
SCHEMBL13397004 0.99 ACHE (0.38) ACHEDPP8DPP9CA12CA1
SCHEMBL13397120 0.87 DPP8 (0.41) ACHEDPP8DPP9
SCHEMBL13397101 0.86 ACHE (0.42) ACHEDPP8DPP9
SCHEMBL13397063 0.80 CA12 (0.41) CA12CA1CA2CA4CA9
SCHEMBL13397050 0.80 DPP8 (0.39) ACHEDPP8DPP9ANPEP
SCHEMBL13397001 0.79 CA12 (0.40) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL3305663 0.79 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL13396944 0.79 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL13416598 0.78 ACHE (0.37) ACHEALDH1A1LMNASLC1A3SLC1A1
SCHEMBL13397061 0.78 P2RY10 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ACHE 540/4885DPP8 3708/4885DPP9 1622/4885

“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.