SCHEMBL3175282

SCHEMBL3175282

CCC(C(=O)OC)c1c(C)ccn(-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 3/20 0.37
COMT P21964 1/20 0.37
MAPT P10636 1/20 0.36
ELOVL1 Q9BW60 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL3166138 0.87 NOTUM (0.41) L3MBTL1NOTUMGAACOMTMAPT
SCHEMBL3182485 0.81 BRD4 (0.44) L3MBTL1KDM4EALDH1A1NOTUMGAA
SCHEMBL3173168 0.79 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL4252487 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL3175233 0.76 ALDH1A1 (0.36) L3MBTL1KDM4EALDH1A1MAPTKMT2A
SCHEMBL3175412 0.75 CASP3 (0.43)
SCHEMBL16386606 0.75 KDM4E (0.51) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL3173095 0.73 CASP3 (0.35) GAAMAPT
SCHEMBL4254704 0.71 TSHR (0.44) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL3179506 0.71 GAA (0.47) L3MBTL1KDM4EALDH1A1LMNANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO claimed
US-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-01-21 US disclosed
CN-101558041-A Caspase inhibitors based on pyridone scaffold LG LIFE SCIENCES LTD (KR) 2009-10-14 CN disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP 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
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 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 1996/4885KDM4E 1345/4885ALDH1A1 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.