SCHEMBL3899696

SCHEMBL3899696

Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.57
HDAC2 Q92769 1/20 0.48
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.45
AGXT P21549 1/20 0.44
FEN1 P39748 1/20 0.42

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
SCHEMBL3903661 0.83 KIF11 (0.61) KIF11HDAC2MAOBAGXT
SCHEMBL379155 0.83 ALDH1A1 (0.52) KIF11ALDH1A1
SCHEMBL29924944 0.82 ALDH1A1 (0.62) KIF11ALDH1A1
SCHEMBL1099003 0.82 ALDH1A1 (0.62) KIF11ALDH1A1
SCHEMBL3906089 0.82 KIF11 (0.59) KIF11MAOBFEN1
Hydrochloric Acid SCHEMBL30779699 0.81 IDO1 (0.52) KIF11ALDH1A1
Bromide SCHEMBL29950269 0.81 ALDH1A1 (0.50) KIF11ALDH1A1
SCHEMBL3896158 0.80 KIF11 (0.72) KIF11
SCHEMBL21077193 0.79 CYP11B2 (0.62) KIF11FEN1
SCHEMBL30758809 0.79 KIF11 (0.59) KIF11ALDH1A1

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
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
EP-1694281-A4 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2008-12-24 EP disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
US-20070259951-A1 Compounds, Compositions and Methods SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 US disclosed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
EP-1694281-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-30 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 WO disclosed
WO-2005060692-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 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 (4 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A KIF11 8/4885HDAC2 936/4885MAOB 1994/4885
US-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885HDAC2 1216/4885MAOB 2353/4885
US-20070259951-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 KIF11 824/4885HDAC2 1477/4885MAOB 2109/4885
US-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885HDAC2 1477/4885MAOB 2109/4885

“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.