SCHEMBL407432

SCHEMBL407432

CC(C)(C)c1cn2c(n1)CC(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX7 Q99572 1/20 0.38
PDE10A Q9Y233 1/20 0.36
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
TP53 P04637 1/20 0.32

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
Hydrochloric Acid SCHEMBL441936 0.99 KDM4E (0.38) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL29119701 0.86 P2RX7 (0.40) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL408908 0.82 KMT2A (0.46) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL29119706 0.81 KDM4E (0.48) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL408206 0.78 P2RX7 (0.36) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL16003640 0.78 KDM4E (0.38) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL16352249 0.76 P2RX7 (0.33) P2RX7PDE10A
SCHEMBL408909 0.73 WDR5 (0.52) KDM4EP2RX7PDE10ALMNAALDH1A1
Hydrochloric Acid SCHEMBL441011 0.72 WDR5 (0.51) KDM4EP2RX7PDE10ALMNAALDH1A1
SCHEMBL24493337 0.70 ALDH1A1 (0.45) KDM4EHSD17B10HPGDNPSR1LMNA

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KDM4E 2452/4885HSD17B10 168/4885USP2 4053/4885

“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.