SCHEMBL13400809

SCHEMBL13400809

CCNC(=O)C(CCCN)NC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
TLR2 O60603 4/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
RRM1 P23921 1/20 0.37
FOLH1 Q04609 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
CPB2 Q96IY4 3/20 0.35
SLC6A5 Q9Y345 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PAOX Q6QHF9 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
SCHEMBL25556371 0.82 MMP1 (0.40) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL13997595 0.82 SIRT6 (0.46) SIRT6SIRT1TLR2GNAI3GNAO1
SCHEMBL22330612 0.81 KISS1R (0.43) SIRT6SIRT1TLR2DPP7RRM1
SCHEMBL23514658 0.81 SIRT6 (0.58) SIRT6SIRT1TLR2GNAI3GNAO1
SCHEMBL569594 0.80 FOLH1 (0.49) FOLH1CPB2SLC6A5
SCHEMBL161214 0.80 FOLH1 (0.49) FOLH1CPB2SLC6A5
SCHEMBL6848366 0.80 HDAC7 (0.40) SIRT6SIRT1DPP7CA1CA2
SCHEMBL14143227 0.80 TSHR (0.32) SIRT6SIRT1DPP7RRM1
SCHEMBL13958540 0.80 HDAC7 (0.40) SIRT6SIRT1DPP7CA1CA2
SCHEMBL161213 0.80 FOLH1 (0.49) FOLH1CPB2SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404216-B2 Dendritic chelated compounds, methods for making the same and pharmaceutical compositions containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-26 US disclosed
US-20100104512-A1 Dendritic Chelated Compounds, Methods for Making the Same and Pharmaceutical Compositions Containing the Same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-04-29 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-20100104512-A1 Dendritic Chelated Compounds, Methods for Making the Same and Pharmaceutical Compositions Containing the Same ZYX, CXCR4, ZFX SIRT6 3653/4885SIRT1 3071/4885TLR2 792/4885

“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.