SCHEMBL3403252

SCHEMBL3403252

COC(=O)CC(=O)c1ncc(C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
VEGFA P15692 1/20 0.35
FLT1 P17948 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11201451 0.79 MAPKAPK2 (0.35) KDM4EALDH1A1KMT2APOLBHPGD
SCHEMBL15751419 0.77 GSK3B (0.37) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL14684041 0.77 GRM5 (0.34) ALDH1A1KMT2APOLBHPGDL3MBTL1
SCHEMBL10558381 0.77 GAA (0.35) KDM4EALDH1A1GAAKDM5BKMT2A
SCHEMBL7422568 0.72 HPGD (0.39) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL2491805 0.72 SMN1; SMN2 (0.40) KDM4EGAAKMT2APOLBCYP1A2
SCHEMBL29361842 0.72 SMN1; SMN2 (0.40) KDM4EGAAKMT2APOLBCYP1A2
SCHEMBL30112052 0.72 HPGD (0.39) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL4734775 0.71 HDAC1 (0.54) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3460085 0.71 SIRT3 (0.37) KDM4EALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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 (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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR KDM4E 3497/4885ALDH1A1 243/4885HSD17B10 4653/4885

“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.