SCHEMBL14726796

SCHEMBL14726796

COC(=O)c1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccn(C(C)C)c3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 18/20 0.66
BRD4 O60885 4/20 0.62
BRD2 P25440 1/20 0.54
BRD3 Q15059 1/20 0.54
BRDT Q58F21 1/20 0.54
EZH1 Q92800 1/20 0.54
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52

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
SCHEMBL2594609 0.89 EZH2 (0.75) EZH2BRD4BRD2BRD3BRDT
SCHEMBL12180088 0.87 EZH2 (0.72) EZH2BRD4EZH1HDAC1HDAC6
SCHEMBL2595229 0.85 EZH2 (0.66) EZH2BRD4BRD2BRD3BRDT
SCHEMBL16116270 0.84 EZH2 (0.68) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2593834 0.84 EZH2 (0.73) EZH2BRD4BRD2BRD3BRDT
SCHEMBL18863744 0.84 EZH2 (0.78) EZH2BRD4BRD2BRD3BRDT
SCHEMBL17970320 0.83 EZH2 (0.77) EZH2BRD4BRD2BRD3BRDT
SCHEMBL17970299 0.83 EZH2 (0.64) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2593367 0.82 EZH2 (0.68) EZH2BRD4BRD2BRD3BRDT
SCHEMBL31158046 0.82 EZH2 (0.75) EZH2BRD4BRD2BRD3BRDT

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-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 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-20130053397-A1 INDOLES IDO1, IDO2, INMT EZH2 239/4885BRD4 177/4885BRD2 618/4885

“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.