SCHEMBL4477510

SCHEMBL4477510

COc1ccc2cc(C(=O)O)c(NCc3ccc(C)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
RIOX2 Q8IUF8 1/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.45
HPGDS O60760 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
ALDH1A1 P00352 2/20 0.44
EGFR P00533 1/20 0.44
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4487073 0.94 KDM4E (0.53) KDM4EASPHKDM8RIOX2TP53
SCHEMBL4487160 0.91 HPGDS (0.47) KDM4EASPHKDM8RIOX2HPGDS
SCHEMBL4489260 0.91 HPGDS (0.55) KDM4EASPHKDM8RIOX2TP53
SCHEMBL4490500 0.90 CTNNB1 (0.51) KDM4EASPHKDM8RIOX2GPBAR1
SCHEMBL4482149 0.90 KDM4E (0.47) KDM4EASPHKDM8RIOX2HPGDS
SCHEMBL4484614 0.89 KDM4E (0.46) KDM4EASPHKDM8RIOX2TP53
SCHEMBL4484703 0.89 POLB (0.49) TP53GAAMEN1KMT2AMAPT
SCHEMBL4492223 0.88 CCR9 (0.47) KDM4EASPHKDM8RIOX2HPGDS
SCHEMBL4500058 0.86 SMN1; SMN2 (0.53) HPGDSMEN1KMT2AMAPTALDH1A1
SCHEMBL4491139 0.86 CA1 (0.52) ALDH1A1HPGD

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 10 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
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 KDM4E 1641/4885ASPH 4381/4885KDM8 2102/4885

“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.