SCHEMBL3901293

SCHEMBL3901293

Nc1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.59
APP P05067 2/20 0.54
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
FEN1 P39748 7/20 0.49
ALOX5AP P20292 6/20 0.49
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 1/20 0.44
MPL P40238 1/20 0.44
MAPK1 P28482 1/20 0.42
RORC P51449 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL28663078 0.87 KIF11 (0.42) KIF11APPAKR1C3AKR1C2FEN1
SCHEMBL5851644 0.85 KIF11 (0.63) KIF11APPTSHRGLAPOLB
SCHEMBL3784912 0.84 PDE3B (0.46) KIF11FEN1ALOX5APTSHRGLA
SCHEMBL6011433 0.83 KIF11 (0.61) KIF11APPFEN1TSHRGLA
SCHEMBL24031277 0.83 RORC (0.56) APPFEN1ALOX5APRORC
SCHEMBL13385864 0.82 KIF11 (0.46) KIF11APPAKR1C3AKR1C2FEN1
Water SCHEMBL28611987 0.82 PDE3B (0.45) KIF11FEN1ALOX5APTSHRGLA
SCHEMBL5685519 0.81 KIF11 (0.59) KIF11APPFEN1ALOX5APTSHR
Hydrochloric Acid SCHEMBL6011297 0.81 KIF11 (0.59) KIF11APPFEN1TSHRGLA
SCHEMBL4659904 0.81 TSHR (0.68) KIF11APPFEN1ALOX5APTSHR

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 8 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-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-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-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 (2 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-20070259951-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 KIF11 824/4885APP 4406/4885AKR1C3 1014/4885
US-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885APP 4406/4885AKR1C3 1014/4885

“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.