SCHEMBL4153480

SCHEMBL4153480

N#Cc1ccc(N(Cc2nc(-c3ccc(F)cc3)n[nH]2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.40
PGR P06401 3/20 0.40
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL4150972 0.84 CYP11B1 (0.38) ARPGR
SCHEMBL4156606 0.83 AR (0.39) ARPGRKDM4EALDH1A1HTT
SCHEMBL13777381 0.82 AR (0.41) ARPGRKDM4EALDH1A1GAA
SCHEMBL4153657 0.81 AR (0.40) ARPGRALDH1A1MAPTHTT
SCHEMBL4151762 0.79 AR (0.48) ARPGRRXRARXRBRXRG
SCHEMBL4153574 0.77 AR (0.40) ARPGRRXRARXRBRXRG
SCHEMBL4154091 0.77 AR (0.40) ARPGRRXRARXRBRXRG
SCHEMBL4150461 0.76 AR (0.43) ARPGR
SCHEMBL4146639 0.76 AR (0.44) ARPGRRXRARXRBRXRG
SCHEMBL4146236 0.75 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 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 27/4885KDM4E 2095/4885

“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.