SCHEMBL15064848

SCHEMBL15064848

CCOC(=O)C=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1nc2ccccc2n1COCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
P4HB P07237 1/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BLM P54132 1/20 0.31

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
SCHEMBL15064847 1.00 KDM4E (0.37) KDM4EHSD17B10NPC1LMNAPOLB
SCHEMBL18543756 0.90 NPC1 (0.38) KDM4EHSD17B10NPC1LMNAPOLB
SCHEMBL16689953 0.88 ALDH1A1 (0.39) KDM4ENPC1LMNAPOLBALDH1A1
SCHEMBL15065409 0.86 POLB (0.44) KDM4EHSD17B10NPC1LMNAPOLB
SCHEMBL15065103 0.77 NPC1 (0.35) KDM4EHSD17B10NPC1LMNAPOLB
SCHEMBL15065104 0.77 NPC1 (0.35) KDM4EHSD17B10NPC1LMNAPOLB
SCHEMBL16792476 0.75 KDM4E (0.51) KDM4EHSD17B10NPC1LMNAPOLB
SCHEMBL29520489 0.72 KDM4E (0.38) KDM4EHSD17B10NPC1POLBALDH1A1
SCHEMBL5953265 0.71 KDM4E (0.55) KDM4EHSD17B10NPC1LMNAPOLB
SCHEMBL17969377 0.70 KDM4E (0.35) KDM4EHSD17B10NPC1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A KDM4E 1619/4885HSD17B10 140/4885NPC1 3068/4885

“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.