SCHEMBL2265446

SCHEMBL2265446

COC(=O)c1cccc(COc2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.48
NR1H2 P55055 4/20 0.46
NR1H3 Q13133 3/20 0.46
RXRA P19793 1/20 0.46
AR P10275 1/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A2 P43354 2/20 0.41
MAOB P27338 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL2265654 0.94 NR1H2 (0.51) MRGPRX4NR1H2NR1H3RXRAAR
SCHEMBL2266370 0.88 NR1H2 (0.54) NR1H2NR1H3RXRAARGAA
SCHEMBL2262192 0.87 RXRA (0.49) NR1H2NR1H3RXRAARGAA
SCHEMBL2266432 0.86 RXRA (0.54) MRGPRX4NR1H2NR1H3RXRAAR
SCHEMBL2262797 0.86 RXRA (0.49) NR1H2NR1H3RXRAARGAA
SCHEMBL2264071 0.85 NR1H2 (0.49) NR1H2NR1H3RXRAARGAA
SCHEMBL14944165 0.85 NR1H3 (0.49) NR1H2NR1H3RXRAARGAA
SCHEMBL2262165 0.84 RXRA (0.51) NR1H2NR1H3RXRAARGAA
SCHEMBL2262608 0.84 RXRA (0.47) NR1H2NR1H3RXRAARGAA
SCHEMBL2260999 0.84 RXRA (0.51) NR1H2NR1H3RXRAARMAPT

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 9 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
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
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 MRGPRX4 1081/4885NR1H2 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.