SCHEMBL2746233

SCHEMBL2746233

C[C](C(N)=O)C(=O)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
F2 P00734 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
TMPRSS6 Q8IU80 1/20 0.52
ST14 Q9Y5Y6 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
BCAT2 O15382 1/20 0.46
POLB P06746 2/20 0.44
PLG P00747 1/20 0.44

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
SCHEMBL4281965 0.83 MAPT (0.55) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL16866619 0.81 RXFP1 (0.59) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL2745514 0.81 HSD17B10 (0.57) ALDH1A1SMN1; SMN2HSD17B10RAB9ANPC1
SCHEMBL2906442 0.80 SMN1; SMN2 (0.61) ALDH1A1L3MBTL1SMN1; SMN2MAPK1HSD17B10
SCHEMBL2746243 0.77 CA12 (0.47) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL14047972 0.76 PEPD (0.64) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL11923036 0.76 L3MBTL1 (0.73) ALDH1A1L3MBTL1SMN1; SMN2MAPK1HSD17B10
SCHEMBL2746891 0.75 NNMT (0.61) SMN1; SMN2RAB9AMAPT
SCHEMBL2568204 0.74 CA1 (0.60) ALDH1A1L3MBTL1SMN1; SMN2MAPK1HSD17B10
SCHEMBL2746235 0.74 L3MBTL1 (0.54) ALDH1A1L3MBTL1F2PRSS1SMN1; SMN2

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 3505/4885L3MBTL1 4811/4885F2 1109/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885L3MBTL1 3878/4885F2 646/4885

“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.