SCHEMBL2595148

SCHEMBL2595148

Cc1cc(C)c(N(C)C(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc3c2c(C)nn3C(C)C)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 8/20 0.50
HDAC6 Q9UBN7 11/20 0.48
EZH1 Q92800 6/20 0.46
EED O75530 2/20 0.46
RBBP4 Q09028 2/20 0.46
SUZ12 Q15022 2/20 0.46
RBBP7 Q16576 2/20 0.46
AEBP2 Q6ZN18 2/20 0.46
HDAC1 Q13547 5/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PRMT3 O60678 1/20 0.41
SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL2595145 0.86 EZH2 (0.70) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL17970531 0.74 EZH2 (0.80) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL2590359 0.74 EZH2 (0.78) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL16116261 0.72 EZH2 (0.51) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL12180731 0.72 EZH2 (0.88) EZH2HDAC6EZH1EEDRBBP4
Hydrochloric Acid SCHEMBL2590277 0.72 EZH2 (0.87) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL12684034 0.70 EZH2 (0.79) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL16115487 0.70 EZH2 (0.51) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL16115789 0.69 RET (0.48) HDAC6
SCHEMBL12180694 0.69 EZH2 (0.79) EZH2EZH1EEDRBBP4SUZ12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140325-A1 INDAZOLES 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 (2 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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B EZH2 1599/4885HDAC6 212/4885EZH1 1398/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B EZH2 1599/4885HDAC6 212/4885EZH1 1398/4885

“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.