SCHEMBL2745683

SCHEMBL2745683

COC(=O)C(NC(=O)c1cc(C)c(C)n(Cc2ccncc2)c1=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TACR3 P29371 1/20 0.39
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
BCL2L1 Q07817 1/20 0.39
P2RX3 P56373 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.37
MAPK10 P53779 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5519373 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL5523281 0.90 MEN1 (0.46) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL2745418 0.88 MEN1 (0.49) TAS1R3TAS1R1MEN1KMT2ACNR2
SCHEMBL2746184 0.80 TAS1R3 (0.45) ALDH1A1KDM4ETAS1R3TAS1R1MEN1
SCHEMBL5519369 0.80 TAS1R3 (0.45) ALDH1A1KDM4ETAS1R3TAS1R1MEN1
SCHEMBL2747807 0.79 CNR2 (0.54) TAS1R3TAS1R1CNR2CNR1
SCHEMBL14472361 0.79 CNR2 (0.47) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL5517486 0.77 CNR2 (0.57) TAS1R3TAS1R1MEN1KMT2ACNR2
SCHEMBL2747862 0.77 CNR2 (0.57) TAS1R3TAS1R1MEN1KMT2ACNR2
SCHEMBL5515079 0.77 CNR2 (0.57) TAS1R3TAS1R1CNR2CNR1

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 ALDH1A1 3505/4885KDM4E 1326/4885HPGD 1235/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885KDM4E 1522/4885HPGD 1169/4885

“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.