SCHEMBL16260299

SCHEMBL16260299

CCCNC(=O)C(CCCNC(=N)N)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ DPP7 Q9UHL4 2/20 0.39
▸ NPY4R P50391 11/20 0.36
▸ NPY1R P25929 9/20 0.36
▸ NPY5R Q15761 8/20 0.36
▸ NPY2R P49146 5/20 0.36
▸ RRM1 P23921 1/20 0.36
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ EPHX1 P07099 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
SCHEMBL16260290 0.94 SIRT6 (0.43) SIRT6SIRT1DPP7NPY4RNPY1R
SCHEMBL27113032 0.93 SIRT6 (0.48) SIRT6SIRT1DPP7RRM1GNAI3
SCHEMBL27114204 0.92 SIRT6 (0.50) SIRT6SIRT1DPP7RRM1GNAI3
SCHEMBL16260144 0.89 SIRT6 (0.43) SIRT6SIRT1DPP7NPY4RNPY1R
SCHEMBL16260140 0.89 SIRT6 (0.40) SIRT6SIRT1DPP7NPY4RNPY1R
SCHEMBL23514654 0.85 SIRT6 (0.42) SIRT6SIRT1DPP7NPY4RNPY1R
SCHEMBL16260143 0.85 HPGD (0.36) SIRT6SIRT1NPY4RNPY1RNPY5R
SCHEMBL16263607 0.85 SIRT6 (0.38) SIRT6SIRT1DPP7NPY4RNPY1R
SCHEMBL16263611 0.84 NPY4R (0.34) SIRT6SIRT1DPP7NPY4RNPY1R
SCHEMBL20445457 0.83 CPB2 (0.38) SIRT6SIRT1NPY4RNPY1RNPY5R

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-20140349918-A1 DERIVATIVES OF XANTHONE COMPOUNDS SINGAPORE HEALTH SERVICES PTE LTD. (SG) 2014-11-27 — — 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-20140349918-A1 DERIVATIVES OF XANTHONE COMPOUNDS XDH, XPA, SQLE SIRT6 1326/4885SIRT1 932/4885DPP7 2491/4885

“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.

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