SCHEMBL5807981

SCHEMBL5807981

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.44
▸ NPY1R P25929 4/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT5 Q9NXA8 2/20 0.38
▸ FOLH1 Q04609 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDF Q9HBH1 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ GNPAT O15228 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
SCHEMBL2390736 1.00 NPY4R (0.44) NPY4RNPY1RSIRT6SIRT1SIRT5
Hydrochloric Acid SCHEMBL11506342 0.98 NPY4R (0.44) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL5812127 0.88 SIRT6 (0.43) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL5812133 0.88 SIRT6 (0.43) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL28406173 0.88 SIRT6 (0.40) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL21879809 0.88 NPY4R (0.44) NPY4RNPY1RSIRT1FOLH1ERAP1
SCHEMBL5810079 0.88 SIRT1 (0.43) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL27846680 0.87 NPY4R (0.42) NPY4RNPY1RFOLH1ERAP1LNPEP
SCHEMBL5814333 0.87 SIRT6 (0.39) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL5814337 0.87 SIRT6 (0.39) NPY4RNPY1RSIRT6SIRT1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US claimed
US-20230277725-A1 COACERVATE HYALURONAN HYDROGELS FOR DERMAL FILLER APPLICATIONS ALLERGAN INC (US) 2023-09-07 — — US disclosed
US-20110217347-A1 Antimicrobial films, sponges and sponge cloths KALLE GMBH (DE) 2011-09-08 — — US disclosed
CN-101124342-A Method for differentially detecting multimeric forms from monomeric forms of multimer-forming polypeptides PEOPLEBIO INC (KR) 2008-02-13 — — CN disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US disclosed
US-5532267-A Amidinonaphthyl furancarboxylate derivatives and acid addition salts therof TORII & CO., LTD. (JP) 1996-07-02 — — US disclosed
EP-0556024-B1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO LTD (JP) 1995-08-02 — — EP disclosed
EP-0556024-A1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO., LTD. (JP) 1993-08-18 — — EP 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 (2 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-20110217347-A1 Antimicrobial films, sponges and sponge cloths MLEC, CUTA, DBI NPY4R 2322/4885NPY1R 2251/4885SIRT6 966/4885
US-20230277725-A1 COACERVATE HYALURONAN HYDROGELS FOR DERMAL FILLER APPLICATIONS CD44, CHIT1, CHIA NPY4R 2740/4885NPY1R 2893/4885SIRT6 151/4885

“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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