Sugi Predict

Sugi Predict / Compounds / SCHEMBL4714005

SCHEMBL4714005

SCHEMBL4714005

CC(C)(C)OC(=O)NCc1ccc2cn(C(=O)C3CCC(N)CC3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ KDM4A O75164 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 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
SCHEMBL4711149 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDALOX15HDAC6
SCHEMBL4714009 0.80 NAMPT (0.51) NAMPTGRM2ROCK2ALDH1A1LMNA
SCHEMBL4714007 0.80 NAMPT (0.51) NAMPTGRM2ROCK2ALDH1A1LMNA
SCHEMBL26582560 0.71 NAMPT (0.45) NAMPTROCK2L3MBTL1BRD4CA1
SCHEMBL30608812 0.71 NAMPT (0.45) NAMPTROCK2L3MBTL1BRD4CA1
SCHEMBL4713771 0.71 GSK3B (0.43) KDM4ELMNADYRK1ACA2
SCHEMBL2584476 0.71 ALDH1A1 (0.53) NAMPTALDH1A1KDM4EHPGDALOX15
SCHEMBL4672100 0.70 NQO2 (0.52) NAMPTGRM2KDM4ABRD9BAZ2B
SCHEMBL3180689 0.69 L3MBTL1 (0.61) NAMPTHDAC10HDAC6KDM4AL3MBTL1
SCHEMBL4716258 0.68 KDM2B (0.44) ALDH1A1HPGDIGF1RDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 — — EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 — — US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 — — US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 — — US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 — — US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 — — 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 NAMPT 984/4885GRM2 2531/4885ROCK2 2219/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 NAMPT 1166/4885GRM2 1877/4885ROCK2 2215/4885

“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.