SCHEMBL16263594

SCHEMBL16263594

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.49
▸ NPY1R P25929 9/20 0.49
▸ NPY5R Q15761 8/20 0.40
▸ NPY2R P49146 5/20 0.40
▸ FOLH1 Q04609 1/20 0.36
▸ PDF Q9HBH1 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL16263595 0.94 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18671700 0.93 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL18671824 0.93 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL23048407 0.90 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL8005035 0.90 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL13949746 0.90 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
Hydrochloric Acid SCHEMBL28825330 0.88 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
Hydrochloric Acid SCHEMBL7303864 0.88 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
Hydrochloric Acid SCHEMBL7302869 0.88 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL16263608 0.88 MEN1 (0.44) NPY4RNPY1R

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 927/4885NPY5R 656/4885

“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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