SCHEMBL4493553

SCHEMBL4493553

COc1ccc2cc(C(=O)O)c(NCCc3ccc(OC)c(OC)c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MITF O75030 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NOD2 Q9HC29 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ACHE P22303 7/20 0.52
APP P05067 6/20 0.52
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.48
BCHE P06276 4/20 0.48

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
SCHEMBL4503010 0.91 KMT2A (0.48) KMT2AMEN1KDM4EGAASMN1; SMN2
SCHEMBL4497855 0.90 PTGDR (0.51) KMT2AMEN1KDM4EGAASMN1; SMN2
SCHEMBL4478359 0.87 PTGDR (0.46) KMT2AMEN1KDM4EGAASMN1; SMN2
SCHEMBL4492686 0.87 CSNK2A2 (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL4488036 0.87 TACR3 (0.51) KMT2AMEN1KDM4EGAASMN1; SMN2
SCHEMBL4484812 0.86 PTGDR (0.46) KMT2AMEN1KDM4EGAASMN1; SMN2
SCHEMBL4487805 0.85 NFKB1 (0.48) KMT2AMEN1SMN1; SMN2CYP3A4MAPT
SCHEMBL4486308 0.85 PGK1 (0.50) KMT2AMEN1KDM4EGAASMN1; SMN2
SCHEMBL4492756 0.84 MEN1 (0.48) KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4480962 0.84 CSNK2A2 (0.48) KMT2AMEN1KDM4EALDH1A1L3MBTL1

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 KMT2A 3192/4885MEN1 2541/4885KDM4E 1641/4885

“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.