SCHEMBL3173168

SCHEMBL3173168

CCC(C(=O)OC)c1c(C)ccn(CCc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
NR5A1 Q13285 1/20 0.38
TSHR P16473 1/20 0.37
ADORA2B P29275 1/20 0.37
GRM2 Q14416 1/20 0.37
KDM4A O75164 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
SCHEMBL3182485 0.88 BRD4 (0.44) L3MBTL1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3175233 0.80 ALDH1A1 (0.36) L3MBTL1MAPTKDM4EKMT2AALDH1A1
SCHEMBL3175282 0.79 L3MBTL1 (0.39) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL3182695 0.77 CASP3 (0.43) L3MBTL1
SCHEMBL3166480 0.76 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3175610 0.76 NOTUM (0.46) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL27766865 0.74 ALDH1A1 (0.38) L3MBTL1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3182279 0.74 L3MBTL1 (0.39) L3MBTL1
SCHEMBL28807638 0.74 SMN1; SMN2 (0.55) L3MBTL1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4254704 0.73 TSHR (0.44) MAPTSMN1; SMN2KDM4EMEN1KMT2A

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 1996/4885MAPT 1263/4885SMN1; SMN2 2012/4885

“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.