SCHEMBL3473375

SCHEMBL3473375

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCC1Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
NR3C2 P08235 2/20 0.44
MET P08581 5/20 0.43
ALK Q9UM73 4/20 0.40
PDK2 Q15119 1/20 0.37
CNR1 P21554 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SCD5 Q86SK9 1/20 0.36
NAMPT P43490 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
SCHEMBL3473931 0.94 RXRA (0.45) RXRANR1H2NR1H3NR3C2MET
SCHEMBL3473694 0.94 RXRA (0.46) RXRANR1H2NR1H3NR3C2MET
SCHEMBL3473698 0.91 RXRA (0.49) RXRANR1H2NR1H3NR3C2MET
SCHEMBL3472172 0.89 RXRA (0.46) RXRANR1H2NR1H3NR3C2ALK
SCHEMBL3474693 0.89 RXRA (0.46) RXRANR1H2NR1H3NR3C2ALK
SCHEMBL3474768 0.88 ALK (0.51) RXRANR1H2NR1H3METALK
SCHEMBL3473893 0.88 RXRA (0.49) RXRANR1H2NR1H3NR3C2MET
SCHEMBL3472117 0.88 ALK (0.51) RXRANR1H2NR1H3METALK
SCHEMBL3472116 0.88 RXRA (0.48) RXRANR1H2NR1H3NR3C2MET
SCHEMBL3478025 0.88 RXRA (0.48) RXRANR1H2NR1H3NR3C2MET

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 7 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
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.