SCHEMBL3471074

SCHEMBL3471074

O=C(OCc1csc(-c2ccccc2)n1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
MAPT P10636 5/20 0.55
RXRA P19793 3/20 0.50
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL3474009 0.83 RXRA (0.49) MAPTRXRANR1H2NR1H3TP53
SCHEMBL3473200 0.83 RXRA (0.52) MAPTRXRANR1H2NR1H3NR3C2
SCHEMBL3470970 0.82 RXRA (0.49) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3472663 0.82 RXRA (0.51) MAPTRXRANR1H2NR1H3TP53
SCHEMBL3474645 0.81 RXRA (0.52) MAPTRXRANR1H2NR1H3NR3C2
SCHEMBL3475415 0.80 RXRA (0.49) MAPTRXRANR1H2NR1H3MAPK1
SCHEMBL3473098 0.80 RXRA (0.52) RAB9AMAPTRXRANR1H2NR1H3
SCHEMBL3472585 0.80 RXRA (0.49) MAPTRXRANR1H2NR1H3KDM4E
SCHEMBL3471783 0.80 RXRA (0.49) MAPTRXRANR1H2NR1H3TP53
SCHEMBL3474016 0.79 RXRA (0.50) MAPTRXRANR1H2NR1H3L3MBTL1

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 2 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-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 RAB9A 2024/4885MAPT 4737/4885RXRA 18/4885

“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.