SCHEMBL14004705

SCHEMBL14004705

CNCCNC(=O)[C@H](CCCCN)NC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
NMT1 P30419 4/20 0.44
NMT2 O60551 3/20 0.44
TLR2 O60603 3/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CPB2 Q96IY4 1/20 0.40
DPP7 Q9UHL4 1/20 0.38
PAOX Q6QHF9 2/20 0.38
RRM1 P23921 1/20 0.37
FOLH1 Q04609 1/20 0.37
TERT O14746 2/20 0.36

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
SCHEMBL13997595 0.95 SIRT6 (0.46) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL23685586 0.94 SIRT6 (0.53) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL14004856 0.94 SIRT6 (0.52) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL18806403 0.93 SIRT6 (0.52) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL14004869 0.92 SIRT6 (0.43) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL14004899 0.90 SIRT6 (0.49) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL14004680 0.88 SIRT6 (0.41) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL14004863 0.88 DPP7 (0.41) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL14004911 0.87 SIRT6 (0.46) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL23514658 0.87 SIRT6 (0.58) SIRT6SIRT1GNAI3GNAO1GNAI1

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SIRT6 126/4885SIRT1 276/4885GNAI3 2921/4885

“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.