SCHEMBL4415569

SCHEMBL4415569

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.42
TLR8 Q9NR97 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
PLA2G7 Q13093 1/20 0.38
MGLL Q99685 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 2/20 0.38
LTA4H P09960 1/20 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
AGER Q15109 1/20 0.36
CHKA P35790 1/20 0.36
CASP1 P29466 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
SCHEMBL5023360 0.85 TLR8 (0.42) RAD51TLR8SIGMAR1PLA2G7MGLL
SCHEMBL4685144 0.85 TLR8 (0.42) RAD51TLR8SIGMAR1PLA2G7MGLL
SCHEMBL4678016 0.85 TLR8 (0.42) RAD51TLR8SIGMAR1PLA2G7MGLL
SCHEMBL4415884 0.84 RAD51 (0.41) RAD51TLR8EPHB4TEKCTSS
SCHEMBL5023843 0.82 TLR8 (0.40) RAD51TLR8SIGMAR1PLA2G7MGLL
SCHEMBL3202062 0.81 HTR2A (0.41) RAD51TLR8EPHB4TEKCTSS
SCHEMBL5023323 0.81 CTSS (0.43) RAD51TLR8SIGMAR1CYP11B1CYP11B2
SCHEMBL2422616 0.81 MAPT (0.45) PLA2G7MGLLABHD6F2RL3
SCHEMBL5023343 0.80 TLR8 (0.43) RAD51TLR8SIGMAR1PLA2G7MGLL
SCHEMBL5023362 0.80 PSEN1 (0.47) PLA2G7MGLLABHD6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US 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
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 CN disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 US 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 (3 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 RAD51 3869/4885TLR8 1373/4885SIGMAR1 376/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 RAD51 3869/4885TLR8 1373/4885SIGMAR1 376/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG RAD51 3741/4885TLR8 828/4885SIGMAR1 495/4885

“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.