SCHEMBL3473846

SCHEMBL3473846

O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.56
RXRA P19793 3/20 0.51
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
RXFP1 Q9HBX9 1/20 0.50
USP36 Q9P275 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
MPL P40238 1/20 0.44
LMNA P02545 1/20 0.44
NR3C2 P08235 1/20 0.43

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
SCHEMBL3472683 0.85 PHGDH (0.53) ADORA3RXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3471324 0.84 MAPT (0.59) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3473070 0.83 RXRA (0.50) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3474392 0.83 RXRA (0.57) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3473591 0.82 RXRA (0.51) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3474828 0.82 RXRA (0.51) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3471938 0.82 ORAI1 (0.60) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3472951 0.82 RXRA (0.56) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3474043 0.82 RXRA (0.58) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3473403 0.82 RXRA (0.50) RXRANR1H2NR1H3MAPTTP53

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 ADORA3 343/4885RXRA 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.