SCHEMBL3474287

SCHEMBL3474287

O=C(Nc1ccc(Cl)cn1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.51
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
F10 P00742 6/20 0.47
NR3C2 P08235 1/20 0.47
ORAI1 Q96D31 2/20 0.47
STIM1 Q13586 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MAPT P10636 1/20 0.46
NAMPT P43490 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL3472886 0.91 HDAC3 (0.52) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3471955 0.91 RXRA (0.49) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3471938 0.89 ORAI1 (0.60) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3474043 0.86 RXRA (0.58) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3475287 0.85 KDM4E (0.55) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3474392 0.85 RXRA (0.57) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3472951 0.84 RXRA (0.56) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3471324 0.84 MAPT (0.59) RXRANR1H2NR1H3NR3C2ORAI1
SCHEMBL3471253 0.84 RXRA (0.50) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3473035 0.84 CNR1 (0.55) RXRANR1H2NR1H3NR3C2ORAI1

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.