SCHEMBL5023360

SCHEMBL5023360

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CI

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
RAD51 Q06609 1/20 0.39
TDP2 O95551 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PTGS2 P35354 2/20 0.37
KIF11 P52732 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
HSD11B1 P28845 1/20 0.36
PLA2G7 Q13093 1/20 0.36
MGLL Q99685 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
IDH1 O75874 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4685144 0.85 TLR8 (0.42) TLR8SIGMAR1RAD51CYP11B1CYP11B2
SCHEMBL4415569 0.85 RAD51 (0.42) TLR8SIGMAR1RAD51CYP11B1CYP11B2
SCHEMBL4678016 0.85 TLR8 (0.42) TLR8SIGMAR1RAD51TDP2CYP11B1
SCHEMBL5023843 0.82 TLR8 (0.40) TLR8SIGMAR1RAD51CYP11B1CYP11B2
SCHEMBL5023323 0.81 CTSS (0.43) TLR8SIGMAR1RAD51CYP11B1CYP11B2
SCHEMBL2424704 0.81 MAPT (0.45) TDP2F2RL3KCNH2NPC1MAPT
SCHEMBL5023362 0.80 PSEN1 (0.47) PLA2G7MGLLABHD6ADORA3
SCHEMBL5023343 0.80 TLR8 (0.43) TLR8SIGMAR1RAD51CYP11B1CTSS
SCHEMBL4681659 0.78 NPY5R (0.46) TLR8SIGMAR1RAD51PTGS2KIF11
SCHEMBL5022595 0.77 ALDH1A1 (0.37) TLR8SIGMAR1RAD51CYP11B1CYP11B2

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
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG TLR8 828/4885SIGMAR1 495/4885RAD51 3741/4885

“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.