SCHEMBL16263589

SCHEMBL16263589

CNC(CCCNC(=N)N)C(=O)NCCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ TLR2 O60603 1/20 0.38
▸ RRM1 P23921 1/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ GRIA1 P42261 2/20 0.36
▸ NPY4R P50391 4/20 0.35
▸ NPY1R P25929 3/20 0.35
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ PAOX Q6QHF9 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35

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
SCHEMBL16263587 0.94 SIRT6 (0.42) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL16263592 0.90 SIRT6 (0.39) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL23514654 0.88 SIRT6 (0.42) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL27115457 0.87 DPP7 (0.50) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL16260144 0.85 SIRT6 (0.43) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL16263588 0.84 DNM1 (0.36) SIRT6SIRT1CACNA1BNPY4RNPY1R
SCHEMBL8733025 0.84 PAOX (0.41) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL16656681 0.84 SIRT6 (0.35) SIRT6SIRT1CACNA1BNPY4RNPY1R
SCHEMBL25677222 0.82 CACNA1B (0.36) SIRT6SIRT1CACNA1BNPY4RNPY1R
SCHEMBL1388278 0.82 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5R

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
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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 932/4885GNAI3 1000/4885

“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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