SCHEMBL3472178

SCHEMBL3472178

Fc1ccc(Cn2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(N4CCNCC4)nc3)s2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.58
NR1H2 P55055 2/20 0.58
NR1H3 Q13133 2/20 0.58
DPP4 P27487 1/20 0.37
ALK Q9UM73 2/20 0.37
RET P07949 2/20 0.36
WDR5 P61964 1/20 0.35
GUCY1B2 O75343 2/20 0.35
GUCY1A2 P33402 2/20 0.35
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
METAP2 P50579 1/20 0.34
NTRK1 P04629 1/20 0.34
KCNK3 O14649 2/20 0.34
RPS6KB1 P23443 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3470788 0.84 RXRA (0.57) RXRANR1H2NR1H3RETGUCY1B2
SCHEMBL2390342 0.78 RXRA (0.61) RXRANR1H2NR1H3DPP4ALK
SCHEMBL3471298 0.75 RXRA (0.63) RXRANR1H2NR1H3GUCY1B2GUCY1A2
SCHEMBL3472176 0.74 RXRA (0.72) RXRANR1H2NR1H3GUCY1B2GUCY1A2
SCHEMBL3475014 0.74 RXRA (0.56) RXRANR1H2NR1H3ALKRET
SCHEMBL3474540 0.74 RXRA (0.69) RXRANR1H2NR1H3KCNK3
SCHEMBL3471757 0.73 RXRA (1.00) RXRANR1H2NR1H3KCNK3
SCHEMBL3473492 0.71 RXRA (0.70) RXRANR1H2NR1H3KCNK3
SCHEMBL2390508 0.68 RXRA (0.51) RXRANR1H2NR1H3ALKRET
SCHEMBL2389417 0.68 RXRA (0.61) RXRANR1H2NR1H3RETWDR5

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 8 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 claimed
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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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.