SCHEMBL4145273

SCHEMBL4145273

N#Cc1ccc(N(Cc2noc(CNC(=N)OC(N)=O)n2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.39
PGR P06401 1/20 0.39
SCN9A Q15858 5/20 0.32
FPR2 P25090 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
CYP19A1 P11511 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
SCHEMBL4157746 0.92 AR (0.38) ARPGRSCN9AFPR2
SCHEMBL4153588 0.89 AR (0.43) ARPGRSCN9AFPR2RXRA
SCHEMBL13777376 0.86 AR (0.41) ARPGRSCN9AFPR2RXRA
SCHEMBL4153666 0.86 AR (0.45) ARPGRRXRARXRBRXRG
SCHEMBL13777361 0.84 AR (0.42) ARPGR
SCHEMBL4158830 0.83 AR (0.42) ARPGRSCN9AFPR2TAS2R14
SCHEMBL4619623 0.82 AR (0.44) ARPGRSCN9AFPR2
SCHEMBL4620483 0.81 AR (0.43) ARPGRSCN9AFPR2RXRA
SCHEMBL4145576 0.80 AR (0.41) ARPGRRXRARXRBRXRG
SCHEMBL13777359 0.80 AR (0.40) ARPGRSCN9AFPR2RXRA

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 2 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

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 27/4885SCN9A 4654/4885

“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.