SCHEMBL3471931

SCHEMBL3471931

N#Cc1ccccc1N1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)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
TACR3 P29371 1/20 0.47
NAMPT P43490 1/20 0.47
NR3C2 P08235 1/20 0.45
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A7 Q99884 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MGLL Q99685 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
SCHEMBL3471846 0.88 RXRA (0.51) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3472568 0.88 RXRA (0.51) RXRANR1H2NR1H3TACR3NR3C2
SCHEMBL3471504 0.88 KDM4E (0.52) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3472549 0.86 RXRA (0.56) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3470736 0.86 RXRA (0.56) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3471476 0.86 SLC6A7 (0.57) RXRANR1H2NR1H3MAPTL3MBTL1
SCHEMBL3471233 0.85 RXRA (0.56) RXRANR1H2NR1H3NR3C2L3MBTL1
SCHEMBL3472038 0.85 RXRA (0.58) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3470812 0.85 MEN1 (0.57) RXRANR1H2NR1H3TACR3NAMPT
SCHEMBL3473198 0.85 RXRA (0.55) RXRANR1H2NR1H3NR3C2MEN1

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
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

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.