SCHEMBL925096

SCHEMBL925096

O=C(O)c1cc(N2CCCC2)c(=O)n(C2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
HSD17B10 Q99714 7/20 0.41
GAA P10253 6/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR4A1 P22736 1/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
SLC6A4 P31645 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2C9 P11712 1/20 0.35
TOP2B Q02880 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
SCHEMBL925284 0.84 ALDH1A1 (0.46) KDM4EHSD17B10GAAPOLBTDP1
SCHEMBL924407 0.82 BACE1 (0.47) KDM4EHSD17B10GAAL3MBTL1TSHR
SCHEMBL926212 0.78 HSD17B10 (0.43) KDM4EHSD17B10GAAPOLBL3MBTL1
SCHEMBL924396 0.77 LMNA (0.39) KDM4EHSD17B10GAAPOLBALDH1A1
SCHEMBL924275 0.74 GAA (0.40) KDM4EHSD17B10GAAPOLBL3MBTL1
SCHEMBL924196 0.74 ALDH1A1 (0.54) KDM4EHSD17B10GAAPOLBALDH1A1
SCHEMBL925194 0.74 HSD17B10 (0.40) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL923798 0.72 HSD17B10 (0.39) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL924493 0.72 BACE1 (0.44) HSD17B10POLBTSHRALDH1A1HPGD
SCHEMBL25352885 0.71 HSD17B10 (0.48) KDM4EHSD17B10GAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 1391/4885HSD17B10 1966/4885GAA 44/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP KDM4E 1391/4885HSD17B10 1966/4885GAA 44/4885

“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.