SCHEMBL3175227

SCHEMBL3175227

COC(=O)Cc1c(C)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
BRD4 O60885 2/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50
POLB P06746 1/20 0.50
MAPK14 Q16539 3/20 0.48
NOTUM Q6P988 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
IDH1 O75874 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP11B1 P15538 1/20 0.43

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
SCHEMBL3166480 0.87 L3MBTL1 (0.78) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL27766867 0.79 MAPK14 (0.51) ALDH1A1MEN1KMT2ABRD4BRD2
SCHEMBL5649641 0.79 F2 (0.58) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL3176105 0.78 GAA (0.46) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL3179506 0.78 GAA (0.47) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL3181686 0.78 BRD4 (0.56) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL4253169 0.77 TSHR (0.53) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL5651411 0.76 F2 (0.61) L3MBTL1IDH1
SCHEMBL3182485 0.75 BRD4 (0.44) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL1137261 0.75 NOTUM (0.56) MEN1KMT2ABRD4BRD2BRD3

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-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-01-21 US disclosed
EP-2079698-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-07-22 EP disclosed
WO-2008056898-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-05-15 WO 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 (1 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-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD CASP1, CASP5, CASP2 L3MBTL1 1996/4885GAA 2079/4885ALDH1A1 3290/4885

“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.