SCHEMBL4153657

SCHEMBL4153657

N#Cc1ccc(N(Cc2nc(-c3ccc(F)cc3)no2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.40
PGR P06401 1/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
S1PR1 P21453 2/20 0.35

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
SCHEMBL4145663 0.92 S1PR1 (0.44) ARPGRSMN1; SMN2SIRT2HDAC8
SCHEMBL4150659 0.91 AR (0.48) ARPGRNPC1HTTRAB9A
SCHEMBL4156505 0.89 RAB9A (0.41) ARPGRNPC1RAB9ASMN1; SMN2
SCHEMBL4146890 0.89 AR (0.43) ARPGRHTTSMN1; SMN2HDAC8
SCHEMBL4158085 0.88 S1PR1 (0.41) ARPGRSMN1; SMN2SIRT2LMNA
SCHEMBL4156862 0.87 AR (0.38) ARPGRCNR1CNR2S1PR1
SCHEMBL4147167 0.85 S1PR1 (0.44) ARPGRNPC1RAB9ASMN1; SMN2
SCHEMBL4146941 0.85 ALDH1A1 (0.44) ARNPC1HTTRAB9ASMN1; SMN2
SCHEMBL4153574 0.83 AR (0.40) ARPGR
SCHEMBL4150461 0.83 AR (0.43) ARPGRNPC1RAB9ASMN1; SMN2

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-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
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 27/4885NPC1 845/4885

“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.