SCHEMBL408866

SCHEMBL408866

COC(=O)[C@H]1CCC(c2nnc(C(C)C)o2)N(C)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CTSK P43235 1/20 0.34
EPHX2 P34913 2/20 0.32
KMT2A Q03164 2/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL440898 1.00 BRD4 (0.34) BRD4CTSKEPHX2KMT2AKCNH2
SCHEMBL440897 1.00 BRD4 (0.34) BRD4CTSKEPHX2KMT2AKCNH2
SCHEMBL408864 0.86 NOTUM (0.32) EPHX2
SCHEMBL440255 0.84 EPHX2 (0.30) EPHX2
SCHEMBL440254 0.84 EPHX2 (0.30) EPHX2
SCHEMBL440256 0.84 EPHX2 (0.30) EPHX2
SCHEMBL441068 0.79 PKM (0.37) CTSKEPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL407345 0.79 PKM (0.37) CTSKEPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL14305170 0.79 KDM4E (0.34) BRD4KMT2AKCNH2
SCHEMBL407388 0.74 EPHX2 (0.34) CTSKEPHX2KMT2A

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 1 patent. 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

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 BRD4 864/4885CTSK 3044/4885EPHX2 1660/4885

“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.