SCHEMBL3472925

SCHEMBL3472925

O=C(OCCCc1cccnc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
NR3C2 P08235 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
CHRNA7 P36544 2/20 0.39
FKBP1A P62942 2/20 0.38
IDH1 O75874 1/20 0.37
PTGS2 P35354 1/20 0.37
PTAFR P25105 1/20 0.36
SLC5A1 P13866 1/20 0.36
PDPK1 O15530 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
SCHEMBL3472585 0.90 RXRA (0.49) RXRANR1H2NR1H3NR3C2IDH1
SCHEMBL3474579 0.85 RXRA (0.47) RXRANR1H2NR1H3NR3C2FABP3
SCHEMBL3471587 0.83 RXRA (0.52) RXRANR1H2NR1H3NR3C2FABP3
SCHEMBL3471500 0.83 RXRA (0.51) RXRANR1H2NR1H3NR3C2FABP3
SCHEMBL3473011 0.83 RXRA (0.47) RXRANR1H2NR1H3NR3C2FABP3
SCHEMBL3472501 0.82 RXRA (0.52) RXRANR1H2NR1H3NR3C2FABP3
SCHEMBL3472126 0.82 RXRA (0.52) RXRANR1H2NR1H3NR3C2FABP3
SCHEMBL3472663 0.82 RXRA (0.51) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3473666 0.81 IDH1 (0.52) RXRANR1H2NR1H3IDH1
SCHEMBL3472962 0.81 RXRA (0.49) RXRANR1H2NR1H3NR3C2FABP3

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 4 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
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

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.