SCHEMBL2264231

SCHEMBL2264231

N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
NR1H2 P55055 2/20 0.53
NR1H3 Q13133 2/20 0.53
CTSK P43235 2/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MEN1 O00255 1/20 0.46
TNF P01375 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL2264749 0.93 RXRA (0.51) RXRANR1H2NR1H3CTSKKDM4E
SCHEMBL2262221 0.91 RXRA (0.59) RXRANR1H2NR1H3CTSKKDM4E
SCHEMBL2265341 0.89 MAPT (0.46) RXRANR1H2NR1H3CTSKKDM4E
SCHEMBL2260744 0.89 RXRA (0.61) RXRANR1H2NR1H3CTSKKDM4E
SCHEMBL2263112 0.89 RXRA (0.55) RXRANR1H2NR1H3CTSKKDM4E
SCHEMBL2265861 0.88 RXRA (0.52) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2261013 0.88 RXRA (0.52) RXRANR1H2NR1H3CTSKKDM4E
SCHEMBL2262871 0.86 RXRA (0.59) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL14944153 0.86 RXRA (0.66) RXRANR1H2NR1H3CTSKKDM4E
SCHEMBL2263121 0.86 RXRA (0.50) RXRANR1H2NR1H3CTSKKDM4E

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
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 RXRA 16/4885NR1H2 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.