SCHEMBL4478341

SCHEMBL4478341

COc1ccc2cc(C(=O)O)c(Nc3cccc4ccccc34)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.52
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 5/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47
CYP1A2 P05177 1/20 0.46
AKR1C3 P42330 3/20 0.46

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
SCHEMBL5207474 0.87 RECQL (0.50) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL5207273 0.85 AKR1C3 (0.46) CDC25BKMT2AALDH1A1MEN1KDM4E
SCHEMBL4490345 0.85 FABP3 (0.51) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL4484788 0.84 AKR1C3 (0.46) CDC25BALDH1A1KDM4EHPGDRAB9A
SCHEMBL5208739 0.84 KMT2A (0.53) KMT2AALDH1A1MEN1HPGDRAB9A
SCHEMBL4482947 0.83 AKR1C3 (0.58) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL4491211 0.83 ALDH1A1 (0.47) CDC25BKMT2AALDH1A1MEN1KDM4E
SCHEMBL4487791 0.83 KDM4E (0.53) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL4495216 0.81 CXCR5 (0.46) KMT2AMEN1KDM4ESMN1; SMN2MAPT
SCHEMBL4496284 0.81 KDM4E (0.53) KMT2AALDH1A1MEN1KDM4EHPGD

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 CDC25B 1401/4885KMT2A 3192/4885ALDH1A1 3862/4885

“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.