SCHEMBL4145386

SCHEMBL4145386

CC(=O)NCCc1nc(CN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.44
PGR P06401 2/20 0.44
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PLA2G7 Q13093 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL4158830 0.91 AR (0.42) ARPGRRXRARXRBRXRG
SCHEMBL4153666 0.91 AR (0.45) ARPGRRXRARXRBRXRG
SCHEMBL13777375 0.89 AR (0.41) ARPGR
SCHEMBL13777359 0.88 AR (0.40) ARPGRRXRARXRBRXRG
SCHEMBL4154064 0.87 AR (0.40) ARPGRCYP2D6CYP2C9
SCHEMBL4157746 0.86 AR (0.38) ARPGR
SCHEMBL4153588 0.84 AR (0.43) ARPGRRXRARXRBRXRG
SCHEMBL4620483 0.84 AR (0.43) ARPGRRXRARXRBRXRG
SCHEMBL4150671 0.84 AR (0.40) ARPGRRXRARXRBRXRG
SCHEMBL4145576 0.83 AR (0.41) ARPGRRXRARXRBRXRG

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 3 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
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

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 27/4885RXRA 244/4885

“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.