SCHEMBL3473186

SCHEMBL3473186

COc1ccccc1CNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
MAPT P10636 3/20 0.50
RXRA P19793 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
CARM1 Q86X55 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL3477754 0.92 NAMPT (0.49) MAPTRXRANR1H2NR1H3POLB
SCHEMBL3472452 0.92 MAPT (0.49) HTTMAPTRXRANR1H2NR1H3
SCHEMBL3472901 0.92 RXRA (0.49) MAPTRXRANR1H2NR1H3POLB
SCHEMBL3472749 0.90 SMN1; SMN2 (0.54) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3473455 0.88 SMN1; SMN2 (0.56) MAPTRXRANR1H2NR1H3POLB
SCHEMBL3474743 0.88 EPHX2 (0.54) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3472268 0.88 RXRA (0.51) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3474104 0.87 RXRA (0.49) MAPTRXRANR1H2NR1H3THRB
SCHEMBL15690895 0.87 RXRA (0.52) MAPTRXRANR1H2NR1H3POLB
SCHEMBL14623694 0.87 PTGS2 (0.48) MAPTRXRANR1H2NR1H3POLB

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 HTT 4739/4885MAPT 4737/4885RXRA 18/4885

“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.