SCHEMBL10285774

SCHEMBL10285774

CCCCNCCCC[C@@H](N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.52
GSR P00390 1/20 0.52
GRIK1 P39086 2/20 0.51
GRIK2 Q13002 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
DPP7 Q9UHL4 1/20 0.51
DDAH1 O94760 2/20 0.49
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC15A1 P46059 1/20 0.47
ARG1 P05089 3/20 0.47
ARG2 P78540 3/20 0.47
NOS1 P29475 1/20 0.46

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
SCHEMBL10286387 1.00 NOD1 (0.52) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL460141 0.96 GRIK1 (0.56) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL9362560 0.96 GRIK1 (0.56) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL10615527 0.95 GRIK1 (0.57) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL4385896 0.95 GRIK1 (0.57) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL10286393 0.94 NOD1 (0.51) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL10286394 0.94 NOD1 (0.51) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL27608418 0.93 GRIK1 (0.56) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL28032333 0.93 GRIK1 (0.56) NOD1GSRGRIK1GRIK2SLC1A2
SCHEMBL25227671 0.93 GSR (0.52) NOD1GSRGRIK1GRIK2SLC1A2

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-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS NOD1 102/4885GSR 587/4885GRIK1 4149/4885

“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.