SCHEMBL3472482

SCHEMBL3472482

O=C(OCc1ccc(-c2ccccn2)s1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.45
RXRA P19793 6/20 0.45
NR1H3 Q13133 6/20 0.45
SLC16A3 O15427 5/20 0.44
SLC16A1 P53985 5/20 0.44
NR3C2 P08235 1/20 0.42
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
SLC5A1 P13866 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3472681 0.87 RXRA (0.45) NR1H2RXRANR1H3NR3C2MAPT
SCHEMBL3473001 0.86 RXRA (0.44) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3473200 0.85 RXRA (0.52) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3470970 0.82 RXRA (0.49) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3472663 0.81 RXRA (0.51) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3470789 0.80 RXRA (0.51) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3472962 0.80 RXRA (0.49) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3472755 0.80 RXRA (0.47) NR1H2RXRANR1H3NR3C2MAPT
SCHEMBL3475415 0.79 RXRA (0.49) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3474579 0.79 RXRA (0.47) NR1H2RXRANR1H3SLC16A3SLC16A1

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 NR1H2 1/4885RXRA 18/4885NR1H3 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.