SCHEMBL2594002

SCHEMBL2594002

COC(=O)c1cc(-c2ccc(F)c(C=O)c2)cc2c1c(C)cn2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.43
EZH2 Q15910 3/20 0.37
EZH1 Q92800 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NR4A2 P43354 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
SCHEMBL14727079 0.86 EZH2 (0.40) EZH2EZH1FFAR4MAPTNR4A2
SCHEMBL14917583 0.80 EZH2 (0.42) ERN1EZH2EZH1FFAR4ALDH1A1
SCHEMBL2588982 0.75 EZH2 (0.40) EZH2EZH1NR4A2
SCHEMBL2587259 0.74 CA12 (0.37) EZH2ALDH1A1MAPTPOLB
SCHEMBL2587361 0.72 CA12 (0.35) EZH2ALDH1A1MAPTNR4A2
SCHEMBL12180129 0.71 EZH2 (0.41) EZH2EZH1FFAR4
SCHEMBL2594904 0.70 ERN1 (0.35) ERN1ALDH1A1MAPTPOLBRAB9A
SCHEMBL2592122 0.70 CA12 (0.36) EZH2EZH1
SCHEMBL2592384 0.69 LMNA (0.38) EZH2EZH1ALDH1A1
SCHEMBL27979669 0.68 PDGFRB (0.33) EZH2EZH1ALDH1A1MAPT

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 36 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 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-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP disclosed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US disclosed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO 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
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-20130345200-A1 INDOLES IDO1, IDO2, INMT ERN1 4312/4885EZH2 257/4885EZH1 669/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT ERN1 4362/4885EZH2 239/4885EZH1 677/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT ERN1 4312/4885EZH2 257/4885EZH1 669/4885

“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.