SCHEMBL3473683

SCHEMBL3473683

CN(Cc1cccnc1)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
NR3C2 P08235 1/20 0.42
PDK1 Q15118 4/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
RAB9A P51151 1/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
TLR9 Q9NR96 1/20 0.40
GRM5 P41594 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL3473048 0.91 RXRA (0.52) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL2260461 0.86 CARM1 (0.50) RXRANR1H2NR1H3PDK1GPBAR1
SCHEMBL3471271 0.83 RXRA (0.55) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3472585 0.83 RXRA (0.49) RXRANR1H2NR1H3NR3C2HDAC1
SCHEMBL3473666 0.83 IDH1 (0.52) RXRANR1H2NR1H3JAK1IDH1
SCHEMBL3471729 0.82 RXRA (0.60) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3472376 0.82 RXRA (0.49) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3473146 0.82 RXRA (0.51) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3472958 0.82 RXRA (0.54) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3470973 0.82 RXRA (0.50) RXRANR1H2NR1H3NR3C2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.