SCHEMBL14717843

SCHEMBL14717843

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2c(Cl)cn3C(C)C)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 20/20 0.70
EZH1 Q92800 2/20 0.66
NR1I2 O75469 1/20 0.60
EED O75530 1/20 0.60
ABCB11 O95342 1/20 0.60
PDE4D Q08499 1/20 0.60
RBBP4 Q09028 1/20 0.60
KCNH2 Q12809 1/20 0.60
PDE3A Q14432 1/20 0.60
SUZ12 Q15022 1/20 0.60
AEBP2 Q6ZN18 1/20 0.60
EHMT2 Q96KQ7 1/20 0.60

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
SCHEMBL19620804 0.94 EZH2 (0.72) EZH2EZH1NR1I2EEDABCB11
SCHEMBL2594531 0.90 EZH2 (0.58) EZH2EZH1
SCHEMBL16360911 0.86 EZH2 (0.66) EZH2EZH1EEDSUZ12
SCHEMBL2592723 0.86 EZH2 (0.61) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL12180159 0.86 EZH2 (0.62) EZH2EZH1EEDSUZ12
SCHEMBL2590211 0.85 EZH2 (0.65) EZH2EZH1EEDSUZ12
SCHEMBL14717539 0.85 EZH2 (0.65) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL14717877 0.84 EZH2 (0.64) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL2589143 0.84 EZH2 (0.70) EZH2EZH1EEDSUZ12
SCHEMBL19620940 0.84 EZH2 (0.66) EZH2EZH1EEDSUZ12

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 46 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
CN-102970869-A Indoles GLAXOSMITHKLINE LLC 2013-03-13 CN 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
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 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-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 US disclosed
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 EP 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
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
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

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-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 EZH2 2/4885EZH1 1/4885NR1I2 2324/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT EZH2 239/4885EZH1 677/4885NR1I2 746/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT EZH2 257/4885EZH1 669/4885NR1I2 767/4885

“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.