SCHEMBL3471470

SCHEMBL3471470

COC(=O)c1cc(-c2ccc(Br)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.66
NR1H2 P55055 3/20 0.66
NR1H3 Q13133 3/20 0.66
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
MARS1 P56192 2/20 0.38
PDE4B Q07343 1/20 0.38
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NOTUM Q6P988 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27716960 0.81 RXRA (0.45) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL12361530 0.81 RXRA (0.43) RXRANR1H2NR1H3CNR1CNR2
SCHEMBL2256561 0.81 RXRA (0.45) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL29419072 0.80 RXRA (0.62) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL341019 0.80 RXRA (0.62) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3470760 0.80 NR1H2 (1.00) RXRANR1H2NR1H3SMN1; SMN2CNR1
SCHEMBL2257713 0.79 RXRA (0.43) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473097 0.79 RXRA (0.42) RXRANR1H2NR1H3SMN1; SMN2ALDH1A1
SCHEMBL3472757 0.77 RXRA (0.50) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3472731 0.77 CNR1 (0.44) RXRANR1H2NR1H3CNR1CNR2

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 9 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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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 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.