SCHEMBL3473300

SCHEMBL3473300

COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
POLB P06746 2/20 0.56
RXRA P19793 2/20 0.50
NR1H2 P55055 2/20 0.50
NR1H3 Q13133 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
THRB P10828 2/20 0.49
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 2/20 0.46
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL3473603 0.95 MAPT (0.55) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL15690890 0.93 MAPT (0.55) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3473066 0.93 MAPT (0.56) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3472306 0.93 MAPT (0.55) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3474934 0.92 MAPT (0.56) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3471255 0.92 MAPT (0.58) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3473226 0.92 MAPT (0.56) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3471378 0.91 MAPT (0.48) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL15690933 0.90 MAPT (0.47) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3471497 0.89 RXRA (0.52) MAPTPOLBRXRANR1H2NR1H3

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 MAPT 4737/4885POLB 3735/4885RXRA 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.