SCHEMBL4487791

SCHEMBL4487791

COc1ccc2cc(C(=O)O)c(Nc3ccccc3C#N)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 8/20 0.50
CLK1 P49759 4/20 0.50
HSD17B10 Q99714 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CASP1 P29466 3/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
RXFP1 Q9HBX9 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
TP53 P04637 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
SCHEMBL4490345 0.84 FABP3 (0.51) KDM4EMAPTALDH1A1CLK1HPGD
SCHEMBL5207273 0.84 AKR1C3 (0.46) KDM4EMAPTALDH1A1CLK1HPGD
SCHEMBL4478341 0.83 CDC25B (0.52) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL4484788 0.83 AKR1C3 (0.46) KDM4EMAPTALDH1A1L3MBTL1HPGD
SCHEMBL4482947 0.82 AKR1C3 (0.58) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL4491211 0.82 ALDH1A1 (0.47) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL5204839 0.81 KDM4E (0.52) KDM4EMAPTGAAALDH1A1CLK1
SCHEMBL5203654 0.80 KDM4E (0.60) KDM4EMAPTGAAALDH1A1CLK1
SCHEMBL4495216 0.79 CXCR5 (0.46) KDM4EMAPTGAAL3MBTL1MEN1
SCHEMBL5208739 0.78 KMT2A (0.53) MAPTALDH1A1HPGDMEN1KMT2A

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 1641/4885MAPT 3468/4885GAA 422/4885

“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.