SCHEMBL3472452

SCHEMBL3472452

COc1ccccc1CCNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
POLB P06746 2/20 0.49
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
THRB P10828 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
NAMPT P43490 1/20 0.46
TP53 P04637 2/20 0.46
SLC2A1 P11166 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 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
SCHEMBL3473186 0.92 HTT (0.53) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3472003 0.88 TRPV1 (0.50) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3473854 0.87 RXRA (0.54) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3474283 0.87 SMN1; SMN2 (0.49) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3475237 0.86 TRPV1 (0.53) MAPTRXRANR1H2NR1H3TRPV1
SCHEMBL2256821 0.86 CARM1 (0.55) TP53CARM1
SCHEMBL3472234 0.85 ALDH1A1 (0.59) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL15690895 0.85 RXRA (0.52) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3473769 0.85 RXRA (0.52) MAPTPOLBRXRANR1H2NR1H3
SCHEMBL3472833 0.85 MAPT (0.51) 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 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 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.