SCHEMBL2746306

SCHEMBL2746306

CC(C)(N)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.54
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 1/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HDAC3 O15379 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
IDO1 P14902 1/20 0.47
ALOX15 P16050 1/20 0.47
HDAC1 Q13547 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL10265496 0.84 LMNA (0.59) EPHX1ALDH1A1CYP1A2LMNAPOLB
SCHEMBL2745956 0.83 LMNA (0.58) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL2746817 0.81 KDM4E (0.53) ALDH1A1CYP1A2LMNAPOLBCA1
SCHEMBL2745560 0.81 EPHX1 (0.47) EPHX1ALDH1A1CYP1A2LMNAPOLB
SCHEMBL5788908 0.78 RIPK1 (0.56) EPHX1ALDH1A1LMNAPOLBNPC1
SCHEMBL5791826 0.77 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2LMNAPOLB
SCHEMBL76489 0.76 ALDH1A1 (0.67) EPHX1ALDH1A1CYP1A2POLBNPC1
SCHEMBL22472043 0.76 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2LMNAPOLB
SCHEMBL4866101 0.76 CES1 (0.54) EPHX1ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL27946688 0.76 POLB (0.59) EPHX1ALDH1A1LMNAPOLBNPC1

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 EPHX1 1087/4885ALDH1A1 3505/4885CYP1A2 1314/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 EPHX1 1472/4885ALDH1A1 4132/4885CYP1A2 1310/4885

“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.