SCHEMBL3473889

SCHEMBL3473889

Cc1cccc(N2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)nn4-c4ccccc4Cl)cc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
NR3C2 P08235 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SLC6A7 Q99884 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 1/20 0.42
GBA1 P04062 2/20 0.42
CNR1 P21554 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
DRD2 P14416 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
SCHEMBL2261140 0.86 RAB9A (0.47) RXRANR1H2NR1H3NPC1RAB9A
SCHEMBL3473247 0.86 RXRA (0.51) RXRANR1H2NR1H3NR3C2SMN1; SMN2
SCHEMBL3472038 0.85 RXRA (0.58) RXRANR1H2NR1H3NR3C2SMN1; SMN2
SCHEMBL3471233 0.85 RXRA (0.56) RXRANR1H2NR1H3NR3C2SMN1; SMN2
SCHEMBL3471504 0.84 KDM4E (0.52) RXRANR1H2NR1H3NR3C2SMN1; SMN2
SCHEMBL3472568 0.84 RXRA (0.51) RXRANR1H2NR1H3NR3C2SMN1; SMN2
SCHEMBL3471846 0.84 RXRA (0.51) RXRANR1H2NR1H3NR3C2SMN1; SMN2
SCHEMBL3470736 0.84 RXRA (0.56) RXRANR1H2NR1H3NR3C2SLC6A7
SCHEMBL3472549 0.84 RXRA (0.56) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3471476 0.84 SLC6A7 (0.57) RXRANR1H2NR1H3SLC6A7ALDH1A1

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.