SCHEMBL3472585

SCHEMBL3472585

O=C(OCc1cccnc1)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 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 2/20 0.40
SLC5A1 P13866 1/20 0.39
IDH1 O75874 1/20 0.39
PTGS2 P35354 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
SLC16A3 O15427 1/20 0.39
PDPK1 O15530 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3472663 0.90 RXRA (0.51) RXRANR1H2NR1H3NR3C2HDAC1
SCHEMBL3472925 0.90 RXRA (0.46) RXRANR1H2NR1H3NR3C2SLC5A1
SCHEMBL3473666 0.84 IDH1 (0.52) RXRANR1H2NR1H3LMNAKMT2A
SCHEMBL3471783 0.84 RXRA (0.49) RXRANR1H2NR1H3NR3C2HDAC1
SCHEMBL3474009 0.84 RXRA (0.49) RXRANR1H2NR1H3NR3C2HDAC1
SCHEMBL3473200 0.84 RXRA (0.52) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3471436 0.83 RXRA (0.50) RXRANR1H2NR1H3NR3C2TDP1
SCHEMBL3471680 0.83 RXRA (0.45) RXRANR1H2NR1H3NR3C2THRB
SCHEMBL3473683 0.83 RXRA (0.49) RXRANR1H2NR1H3NR3C2HDAC1
SCHEMBL3470789 0.83 RXRA (0.51) RXRANR1H2NR1H3NR3C2HDAC1

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 10 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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP 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.