SCHEMBL4145663

SCHEMBL4145663

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
S1PR3 Q99500 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 3/20 0.40
PGR P06401 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4156505 0.93 RAB9A (0.41) S1PR1SIRT2S1PR3SMN1; SMN2AR
SCHEMBL4158085 0.92 S1PR1 (0.41) S1PR1SIRT2S1PR3SMN1; SMN2AR
SCHEMBL4153657 0.92 AR (0.40) S1PR1SIRT2SMN1; SMN2ARPGR
SCHEMBL4150659 0.91 AR (0.48) S1PR1ARPGRHDAC1HDAC2
SCHEMBL4147167 0.89 S1PR1 (0.44) S1PR1SMN1; SMN2ARPGRHDAC1
SCHEMBL4146890 0.89 AR (0.43) S1PR1SMN1; SMN2ARPGRHDAC1
SCHEMBL4156862 0.87 AR (0.38) S1PR1ARPGR
SCHEMBL4146941 0.85 ALDH1A1 (0.44) S1PR1SMN1; SMN2AR
SCHEMBL4139876 0.83 AR (0.40) S1PR1ARPGRLMNATHRB
SCHEMBL4150955 0.83 AR (0.43) ARPGR

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 S1PR1 781/4885SIRT2 3540/4885S1PR3 631/4885

“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.