SCHEMBL2745516

SCHEMBL2745516

CC(C)(N)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.59
▸ PDK2 Q15119 2/20 0.59
▸ PDK3 Q15120 2/20 0.59
▸ PDK4 Q16654 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ NAPRT Q6XQN6 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ EPHX1 P07099 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ MAPT P10636 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52

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
SCHEMBL8200423 0.89 L3MBTL1 (0.67) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL14849461 0.83 PDK1 (0.63) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL83110 0.83 L3MBTL1 (0.78) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL15962158 0.82 EPHX2 (0.57) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL17368411 0.82 KIF11 (0.58) L3MBTL1TP53MAPTHDAC1HDAC7
SCHEMBL4281969 0.82 MAPT (0.57) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL4573229 0.82 L3MBTL1 (0.52) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL14263204 0.81 PDK1 (0.57) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL3129785 0.81 PDK1 (0.67) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL436619 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443548-A CULTURES, HYDROLASES, DL-ALPHA-METHYLPHENYLALANINE AMIDE UBE INDUSTRIES, LTD. (JP) 1984-04-17 — — US claimed
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
US-4443548-A CULTURES, HYDROLASES, DL-ALPHA-METHYLPHENYLALANINE AMIDE UBE INDUSTRIES, LTD. (JP) 1984-04-17 — — US disclosed
US-4443548-A CULTURES, HYDROLASES, DL-ALPHA-METHYLPHENYLALANINE AMIDE UBE INDUSTRIES, LTD. (JP) 1984-04-17 — — 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 (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 PDK1 3219/4885PDK2 3523/4885PDK3 3413/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 PDK1 3192/4885PDK2 3865/4885PDK3 3286/4885

“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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