SCHEMBL3471497

SCHEMBL3471497

O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.52
NR1H2 P55055 2/20 0.52
NR1H3 Q13133 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 7/20 0.49
TRPV1 Q8NER1 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KCNH2 Q12809 1/20 0.47
NR3C2 P08235 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL3471833 0.93 RXRA (0.51) RXRANR1H2NR1H3MAPTTRPV1
SCHEMBL3472951 0.92 RXRA (0.56) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3474453 0.91 RXRA (0.52) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473770 0.91 RXRA (0.52) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473232 0.91 RXRA (0.51) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3474258 0.91 HDAC3 (0.54) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3471378 0.89 MAPT (0.48) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473300 0.89 MAPT (0.56) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL14623304 0.89 RXRA (0.49) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3471277 0.88 MAPT (0.57) RXRANR1H2NR1H3MAPTTRPV1

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 8 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

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.