SCHEMBL4158085

SCHEMBL4158085

N#Cc1ccc(N(Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.41
AR P10275 6/20 0.40
PGR P06401 1/20 0.40
S1PR3 Q99500 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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) S1PR1ARPGRS1PR3SMN1; SMN2
SCHEMBL4147167 0.91 S1PR1 (0.44) S1PR1ARPGRHPGDSMN1; SMN2
SCHEMBL4150659 0.89 AR (0.48) S1PR1ARPGRCYP1A2HPGD
SCHEMBL4153657 0.88 AR (0.40) S1PR1ARPGRSMN1; SMN2SIRT2
SCHEMBL4156505 0.87 RAB9A (0.41) S1PR1ARPGRS1PR3CYP1A2
SCHEMBL4146890 0.85 AR (0.43) S1PR1ARPGRSMN1; SMN2LMNA
SCHEMBL4156862 0.85 AR (0.38) S1PR1ARPGR
SCHEMBL4146941 0.85 ALDH1A1 (0.44) S1PR1ARKMT2ACYP1A2CYP2C9
SCHEMBL4151095 0.82 NPC1 (0.44) ARPGRMEN1KMT2AHPGD
SCHEMBL4150665 0.81 HDAC2 (0.47) ARPGRMEN1KMT2ACYP1A2

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 781/4885AR 4/4885PGR 27/4885

“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.