SCHEMBL2746463

SCHEMBL2746463

NC(=O)N(CCO)C(=O)[CH]c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
MCL1 Q07820 1/20 0.33
BCAT2 O15382 1/20 0.33
PAM P19021 1/20 0.33
LMNA P02545 3/20 0.32

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
SCHEMBL5004389 0.83 GAA (0.41) L3MBTL1NPC1HDAC3HDAC1HDAC6
SCHEMBL4986792 0.81 NPC1 (0.47) L3MBTL1NPC1HTTALDH1A1TRPM8
SCHEMBL4206732 0.80 TRPM8 (0.45) NPC1ALDH1A1TRPM8LMNAKDM4E
SCHEMBL3168580 0.74 TDP1 (0.42) L3MBTL1LMNATDP1
SCHEMBL4153008 0.72 NPC1 (0.40) L3MBTL1NPC1HDAC3HDAC4HDAC1
SCHEMBL5664145 0.69 LTA4H (0.40) L3MBTL1NPC1HTTALDH1A1TDP1
SCHEMBL176636 0.69 MAPT (0.48) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28398260 0.69 TSHR (0.36) ALDH1A1TSHR
SCHEMBL1246672 0.69 HDAC3 (0.45) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5321558 0.69 MAPT (0.33) MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 L3MBTL1 4811/4885NPC1 1299/4885HDAC3 597/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 L3MBTL1 3878/4885NPC1 1516/4885HDAC3 544/4885

“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.