SCHEMBL3576756

SCHEMBL3576756

CC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(C(C)(C)O)c3)cc2Cl)c(-c2c(Cl)cccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
KMT2A Q03164 1/20 0.41
RXRA P19793 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
NTSR1 P30989 1/20 0.40
GABRA2 P47869 11/20 0.39
GABRB2 P47870 11/20 0.39
NR4A2 P43354 1/20 0.37
KCNH2 Q12809 1/20 0.37
CTSA P10619 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
SCHEMBL2256135 0.86 NR1H2 (0.54) CNR2KMT2ARXRANR1H2NR1H3
SCHEMBL3583490 0.86 RXRA (0.45) CNR2KMT2ARXRANR1H2NR1H3
SCHEMBL15997649 0.86 CNR2 (0.40) CNR2KMT2ARXRANR1H2NR1H3
SCHEMBL14621469 0.84 CNR2 (0.39) CNR2KMT2ARXRANR1H2NR1H3
SCHEMBL27933981 0.83 RXRA (0.49) CNR2KMT2ARXRANR1H2NR1H3
SCHEMBL27933942 0.81 RXRA (0.43) CNR2KMT2ARXRANR1H2NR1H3
SCHEMBL27933979 0.81 CNR2 (0.40) CNR2KMT2ARXRANR1H2NR1H3
SCHEMBL2259095 0.78 NR1H2 (0.55) CNR2RXRANR1H2NR1H3GABRA2
SCHEMBL3583748 0.77 NR1H2 (0.57) RXRANR1H2NR1H3NTSR1GABRA2
SCHEMBL14176902 0.77 CNR2 (0.40) CNR2KMT2ARXRANR1H2NR1H3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US claimed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP claimed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US claimed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US claimed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
WO-2007002563-A1 IMIDAZOLE 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 (2 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 CNR2 135/4885KMT2A 988/4885RXRA 17/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 CNR2 138/4885KMT2A 1228/4885RXRA 17/4885

“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.