SCHEMBL4595919

SCHEMBL4595919

Nc1cc(=O)[nH]c2ccc(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.49
PARP1 P09874 1/20 0.46
KIF11 P52732 7/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.41
PIK3CA P42336 1/20 0.40
TDP2 O95551 1/20 0.40
HDAC2 Q92769 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL11566522 0.78 KIF11 (0.58) ARKIF11
SCHEMBL12907426 0.77 ICMT (0.48) PARP1KIF11HDAC2
SCHEMBL2054651 0.75 KIF11 (0.51) ARKIF11KDM4ETNKS2
SCHEMBL1771513 0.74 AR (0.57) AR
SCHEMBL4294313 0.74 AR (0.50) ARPARP1KIF11KDM4ETDP2
SCHEMBL1771720 0.73 AR (0.60) AR
SCHEMBL8987298 0.73 HPGD (0.68) PARP1KIF11KDM4ETNKS2
SCHEMBL28834693 0.73 KDR (0.51) ARKIF11KDM4ETNKS2
SCHEMBL4596378 0.72 CNR1 (0.60) ARCNR1
SCHEMBL25012836 0.72 KIF11 (0.70) KIF11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US 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
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 AR 2031/4885PARP1 793/4885KIF11 562/4885

“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.