SCHEMBL4480130

SCHEMBL4480130

COc1ccc2cc(C(=O)O)c(NCCCNC(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.58
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47

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
SCHEMBL4488719 0.98 BRD4 (0.60) BRD4KDM4ENPC1RAB9AMAPT
SCHEMBL4473279 0.95 BRD4 (0.54) BRD4KDM4ENPC1RAB9AMAPT
SCHEMBL4477848 0.83 BRD4 (0.41) BRD4KDM4ENPC1RAB9AMAPT
SCHEMBL4489575 0.82 MERTK (0.47) BRD4KDM4EMAPT
SCHEMBL4495280 0.82 KMT2A (0.48) BRD4KDM4ENPC1RAB9A
SCHEMBL4493667 0.82 SYK (0.46) BRD4KDM4ENPC1RAB9A
SCHEMBL4487682 0.81 ALDH1A1 (0.49) KDM4ENPC1RAB9AMAPT
SCHEMBL4495043 0.81 SLC16A3 (0.46) KDM4ENPC1RAB9AMAPT
SCHEMBL4487199 0.81 BRD4 (0.45) BRD4KDM4ENPC1RAB9A
SCHEMBL4482160 0.81 AURKA (0.46) BRD4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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 (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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 BRD4 336/4885KDM4E 1641/4885NPC1 2367/4885

“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.