SCHEMBL3176105

SCHEMBL3176105

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 7/20 0.37
KDM5B Q9UGL1 1/20 0.37
EGFR P00533 1/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35

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
SCHEMBL3175227 0.78 L3MBTL1 (0.59) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL27766864 0.78 HSD17B10 (0.35) L3MBTL1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL5649744 0.77 GAA (0.41) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3166480 0.76 L3MBTL1 (0.78) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3175233 0.75 ALDH1A1 (0.36) L3MBTL1ALDH1A1KMT2AMAPTKDM4E
Bicarbonate SCHEMBL5968701 0.72 MEN1 (0.40) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3179506 0.72 GAA (0.47) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2687097 0.68 EGFR (0.45) GAAL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5649641 0.68 F2 (0.58) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5649784 0.67 F2 (0.59) GAAL3MBTL1MEN1KMT2AKDM4E

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 GAA 2079/4885L3MBTL1 1996/4885ALDH1A1 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.