SCHEMBL2746817

SCHEMBL2746817

CC(C)(N)C(=O)NC(=O)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL5535852 0.85 GAA (0.69) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL2746306 0.81 EPHX1 (0.54) KDM4ECYP1A2GAALMNAALDH1A1
SCHEMBL14679299 0.79 LMNA (0.54) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL14925579 0.79 GAA (0.50) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL2004792 0.78 ALDH1A1 (0.73) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL9591675 0.75 KDM4E (0.63) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL19689020 0.75 TP53 (0.68) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL16642162 0.74 ALDH1A1 (0.67) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL112540 0.74 ALDH1A1 (0.67) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL4098188 0.74 CYP17A1 (0.51) KDM4EMPOCYP1A2CYP3A4ADORA3

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 KDM4E 1326/4885MPO 4350/4885CYP1A2 1314/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 KDM4E 1522/4885MPO 3792/4885CYP1A2 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.