SCHEMBL4487332

SCHEMBL4487332

CSc1nc(Nc2c(F)cc(F)cc2F)c(C=O)c(-c2ccccc2F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 4/20 0.33
RXFP1 Q9HBX9 3/20 0.33
LMNA P02545 3/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 2/20 0.32
MBNL1 Q9NR56 1/20 0.32
DHODH Q02127 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CA13 Q8N1Q1 2/20 0.31
KDM4E B2RXH2 2/20 0.30
DCUN1D1 Q96GG9 1/20 0.30
ADORA1 P30542 2/20 0.30
ADORA2B P29275 1/20 0.30
ADORA2A P29274 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1060727 0.92 CA1 (0.38) CA1CA2CA7ALDH1A1MAPT
SCHEMBL4467853 0.90 CA1 (0.37) CA1CA2CA7ALDH1A1MAPT
SCHEMBL4473277 0.87 MAPT (0.42) CA1CA2CA7ALDH1A1MAPT
SCHEMBL1062033 0.85 CA1 (0.38) CA1CA2CA7ALDH1A1MAPT
SCHEMBL4467254 0.84 CA1 (0.38) CA1CA2CA7ALDH1A1MAPT
SCHEMBL1064841 0.82 HSP90AB1 (0.44) CA1CA2CA7ALDH1A1MAPT
SCHEMBL1065254 0.81 CA1 (0.40) CA1CA2CA7MAPTRXFP1
SCHEMBL1064665 0.81 ALDH1A1 (0.34) CA1CA2CA7ALDH1A1LMNA
SCHEMBL1065783 0.80 PPARG (0.42) CA1CA2CA7ALDH1A1MAPT
SCHEMBL4475432 0.79 MAPT (0.35) CA1CA2CA7ALDH1A1MAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US claimed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP claimed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 US claimed
EP-1499320-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP claimed
CN-1646131-A Novel compounds SMITHKLINE BEECHAM CORP (US) 2005-07-27 CN claimed
EP-1499320-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2005-01-26 EP claimed
WO-2003088972-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-30 WO claimed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 US disclosed
CN-1646131-A Novel compounds SMITHKLINE BEECHAM CORP (US) 2005-07-27 CN 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-20060293348-A1 Novel compounds MAPKAPK2, CREBBP, CDC42BPB CA1 4694/4885CA2 3847/4885CA7 4043/4885

“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.