SCHEMBL4659933

SCHEMBL4659933

FC(F)(F)C1(c2ccc(I)cc2)N=N1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
GABRA1 P14867 3/20 0.36
GABRB3 P28472 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB2 P47870 2/20 0.32
ADRA2A P08913 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL20336329 0.81 KIF11 (0.61) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL13619662 0.77 KIF11 (0.45) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL6105719 0.77 KIF11 (0.49) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL20261725 0.77 KIF11 (0.45) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL14655026 0.77 KIF11 (0.49) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL23860299 0.77 KIF11 (0.45) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL993831 0.77 KIF11 (0.41) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL80368 0.76 KIF11 (0.43) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL586923 0.75 ADRA2A (0.43) KIF11GABRA1GABRB3GABRG2GABRB2
SCHEMBL15370170 0.74 KIF11 (0.42) KIF11GABRA1GABRB3GABRG2GABRB2

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
EP-3233041-B1 COSMETIC PROCESS FOR ATTENUATING WRINKLES OREAL (FR) 2019-01-30 EP disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 WO disclosed
EP-1694281-A4 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2008-12-24 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
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 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-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 (3 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 8/4885GABRA1 2363/4885GABRB3 1738/4885
US-20070259951-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 KIF11 824/4885GABRA1 4345/4885GABRB3 3468/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 KIF11 3428/4885GABRA1 3363/4885GABRB3 2815/4885

“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.