SCHEMBL5535852

SCHEMBL5535852

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 3/20 0.52
MPO P05164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PTGS2 P35354 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL2746817 0.85 KDM4E (0.53) GAALMNAALDH1A1KDM4EMPO
SCHEMBL2998715 0.83 LMNA (0.71) GAALMNAALDH1A1KDM4EMPO
SCHEMBL14925579 0.82 GAA (0.50) GAALMNAALDH1A1KDM4EMPO
SCHEMBL14679299 0.82 LMNA (0.54) GAALMNAALDH1A1KDM4EMPO
SCHEMBL2004792 0.81 ALDH1A1 (0.73) GAAALDH1A1KDM4EMPOCYP1A2
SCHEMBL10265496 0.80 LMNA (0.59) GAALMNAALDH1A1KDM4ECYP1A2
SCHEMBL19689020 0.78 TP53 (0.68) GAALMNAALDH1A1KDM4EMPO
SCHEMBL16642162 0.77 ALDH1A1 (0.67) GAAALDH1A1KDM4EMPOCYP1A2
SCHEMBL112540 0.77 ALDH1A1 (0.67) GAAALDH1A1KDM4EMPOCYP1A2
SCHEMBL23258929 0.77 GAA (0.45) GAALMNAKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GAA 4010/4885LMNA 4280/4885ALDH1A1 3505/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 GAA 4580/4885LMNA 3604/4885ALDH1A1 4132/4885

“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.