SCHEMBL3472774

SCHEMBL3472774

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCNCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.51
RXRA P19793 3/20 0.50
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
KCNH2 Q12809 2/20 0.45
JAK1 P23458 1/20 0.45
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
ATR Q13535 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK14 Q16539 1/20 0.40
RAD52 P43351 1/20 0.40
UBE2N P61088 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3470736 0.92 RXRA (0.56) NR3C2RXRANR1H2NR1H3
SCHEMBL3472549 0.92 RXRA (0.56) NR3C2RXRANR1H2NR1H3
SCHEMBL3473198 0.91 RXRA (0.55) NR3C2RXRANR1H2NR1H3
SCHEMBL3471325 0.85 RXRA (0.52) NR3C2RXRANR1H2NR1H3KCNH2
SCHEMBL3472836 0.85 RXRA (0.53) NR3C2RXRANR1H2NR1H3KCNH2
SCHEMBL3471233 0.85 RXRA (0.56) NR3C2RXRANR1H2NR1H3KCNH2
SCHEMBL3472038 0.85 RXRA (0.58) NR3C2RXRANR1H2NR1H3JAK1
SCHEMBL3472082 0.85 RXRA (0.53) NR3C2RXRANR1H2NR1H3
SCHEMBL3473664 0.85 NR3C2 (0.54) NR3C2RXRANR1H2NR1H3
SCHEMBL3472568 0.84 RXRA (0.51) NR3C2RXRANR1H2NR1H3L3MBTL1

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 7 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
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
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 NR3C2 189/4885RXRA 18/4885NR1H2 1/4885

“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.