SCHEMBL16263595

SCHEMBL16263595

CNC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.48
▸ NPY1R P25929 7/20 0.48
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ NPY2R P49146 6/20 0.39
▸ NPY5R Q15761 6/20 0.39
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ ERAP2 Q6P179 4/20 0.37
▸ LNPEP Q9UIQ6 2/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ FURIN P09958 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 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
SCHEMBL16263594 0.94 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5R
SCHEMBL20620363 0.88 NPY4R (0.48) NPY4RNPY1RSIRT6SIRT1NPY2R
SCHEMBL10792547 0.88 NPY4R (0.57) NPY4RNPY1RSIRT6SIRT1NPY2R
SCHEMBL21782583 0.88 NPY4R (0.46) NPY4RNPY1RSIRT6SIRT1NPY2R
SCHEMBL10792564 0.88 NPY4R (0.57) NPY4RNPY1RSIRT6SIRT1NPY2R
SCHEMBL18671824 0.88 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RNMT2
SCHEMBL18671700 0.88 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RNMT2
SCHEMBL16263606 0.87 ERAP2 (0.43) SIRT6SIRT1NMT2NMT1ERAP2
SCHEMBL16263608 0.84 MEN1 (0.44) NPY4RNPY1R
SCHEMBL23048407 0.84 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RLNPEP

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 NPY4R 1057/4885NPY1R 927/4885SIRT6 1326/4885

“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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