SCHEMBL4480962

SCHEMBL4480962

COc1ccc2cc(C(=O)O)c(NCCc3cccc(F)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.48
CSNK2A1 P68400 4/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PTGDR Q13258 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TACR3 P29371 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4492686 0.92 CSNK2A2 (0.55) CSNK2A2CSNK2A1KDM4EALDH1A1MAPT
SCHEMBL4488036 0.90 TACR3 (0.51) CSNK2A2CSNK2A1KDM4EPTGDRMAPT
SCHEMBL4492756 0.88 MEN1 (0.48) CSNK2A2CSNK2A1MEN1KMT2AMAOB
SCHEMBL4497855 0.86 PTGDR (0.51) CSNK2A2CSNK2A1KDM4EALDH1A1PTGDR
SCHEMBL4484055 0.84 CSNK2A2 (0.52) CSNK2A2CSNK2A1KDM4EALDH1A1PTGDR
SCHEMBL4493553 0.84 KMT2A (0.57) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4487805 0.84 NFKB1 (0.48) CSNK2A2CSNK2A1PTGDRMAPTMEN1
SCHEMBL4486308 0.83 PGK1 (0.50) CSNK2A2CSNK2A1KDM4EALDH1A1PTGDR
SCHEMBL4478359 0.83 PTGDR (0.46) CSNK2A2CSNK2A1KDM4EALDH1A1PTGDR
SCHEMBL4484812 0.82 PTGDR (0.46) CSNK2A2CSNK2A1KDM4EALDH1A1PTGDR

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 7 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
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US 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 CSNK2A2 239/4885CSNK2A1 248/4885KDM4E 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.