SCHEMBL3472956

SCHEMBL3472956

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.62
NR1H2 P55055 3/20 0.62
NR1H3 Q13133 3/20 0.62
PTGS2 P35354 5/20 0.57
NR3C2 P08235 1/20 0.54
PTGS1 P23219 3/20 0.51
MAPT P10636 3/20 0.48
MARS1 P56192 2/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL3474142 0.91 MAPT (0.59) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3474848 0.91 RXRA (0.62) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3473121 0.88 RXRA (0.68) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3474453 0.87 RXRA (0.52) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3471324 0.87 MAPT (0.59) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3473054 0.87 RXRA (0.52) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3471729 0.86 RXRA (0.60) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3470862 0.86 RXRA (0.60) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3471141 0.86 RXRA (0.58) RXRANR1H2NR1H3PTGS2NR3C2
SCHEMBL3472273 0.86 MAPT (0.56) RXRANR1H2NR1H3MAPTTP53

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 6 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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN disclosed
CN-101679297-B LXR and FXR modulators EXELIXIS INC 2012-01-11 CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
CN-101679297-A lxr and fxr modulators EXELIXIS INC 2010-03-24 CN disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN 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.