SCHEMBL4137720

SCHEMBL4137720

N#Cc1ccc(N(Cc2nnc(-c3cccc(C(F)(F)F)c3)o2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
AR P10275 6/20 0.41
PGR P06401 2/20 0.41
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 2/20 0.37
KDR P35968 1/20 0.36
CTSS P25774 1/20 0.35
ATR Q13535 1/20 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
SCHEMBL4142569 0.90 AR (0.41) NR1H2NR1H3ARPGRSUCNR1
SCHEMBL4151282 0.90 AR (0.46) ARPGRTP53NPC1RAB9A
SCHEMBL4153133 0.90 AR (0.52) NR1H2NR1H3ARPGRTP53
SCHEMBL4150955 0.89 AR (0.43) NR1H2NR1H3ARPGRSUCNR1
SCHEMBL4145277 0.86 NPC1 (0.42) ARPGRNPC1RAB9AKDM4E
SCHEMBL4152906 0.85 AR (0.42) ARPGRSUCNR1NOTUM
SCHEMBL4150461 0.85 AR (0.43) ARPGRNPC1RAB9ANOTUM
SCHEMBL4150660 0.85 AR (0.43) ARPGRNOTUM
SCHEMBL4140528 0.85 AR (0.43) ARPGRTP53NPC1HTT
SCHEMBL4136818 0.84 AR (0.42) ARPGRNOTUM

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 NR1H2 61/4885NR1H3 57/4885AR 4/4885

“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.