SCHEMBL2588655

SCHEMBL2588655

CC[C@@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(Br)cc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 17/20 0.63
EZH1 Q92800 5/20 0.61
EED O75530 4/20 0.61
SUZ12 Q15022 4/20 0.61
RBBP4 Q09028 3/20 0.60
AEBP2 Q6ZN18 3/20 0.60
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.55
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50

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
SCHEMBL30615161 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2588502 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL30620958 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2592253 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL12180154 0.93 EED (0.56) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16360915 0.93 EZH2 (0.55) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16360904 0.93 EZH2 (0.55) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16360914 0.92 EZH2 (0.55) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL14717966 0.92 EED (0.58) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2592559 0.92 EZH2 (0.64) EZH2EZH1EEDSUZ12RBBP4

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP claimed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP claimed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US claimed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US claimed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US claimed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US claimed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO claimed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
EP-2566327-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2017-03-29 EP disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (3 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-20150313887-A1 INDOLES IDO1, IDO2, INMT EZH2 257/4885EZH1 669/4885EED 3322/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT EZH2 257/4885EZH1 669/4885EED 3322/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT EZH2 239/4885EZH1 677/4885EED 3258/4885

“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.