SCHEMBL4156862

SCHEMBL4156862

N#Cc1ccc(N(Cc2nc(-c3ccc(C(F)(F)F)nc3)no2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.38
PGR P06401 2/20 0.38
CASP3 P42574 1/20 0.38
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL4153657 0.87 AR (0.40) ARPGRCNR2CNR1S1PR1
SCHEMBL4145663 0.87 S1PR1 (0.44) ARPGRS1PR1
SCHEMBL4150659 0.85 AR (0.48) ARPGRS1PR1
SCHEMBL4146941 0.85 ALDH1A1 (0.44) ARS1PR1
SCHEMBL4158085 0.85 S1PR1 (0.41) ARPGRS1PR1
SCHEMBL4153700 0.84 AR (0.38) ARPGRCASP3RXRARXRB
SCHEMBL4139853 0.84 AR (0.41) ARPGRRXRARXRBRXRG
SCHEMBL4156505 0.84 RAB9A (0.41) ARPGRS1PR1
SCHEMBL4146890 0.83 AR (0.43) ARPGRCASP3S1PR1
SCHEMBL4147167 0.82 S1PR1 (0.44) ARPGRCASP3S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885PGR 27/4885CASP3 3160/4885

“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.