SCHEMBL2261183

SCHEMBL2261183

Cc1ccc(Cn2c(-c3ccc(Oc4ccccc4)cc3)cc(C(F)(F)F)c(CN)c2=O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.53
NR1H3 Q13133 2/20 0.53
RXRA P19793 1/20 0.53
BACE1 P56817 4/20 0.36
GNRHR P30968 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
KCNH2 Q12809 1/20 0.32
MGLL Q99685 1/20 0.32
EPHX2 P34913 1/20 0.32
NPBWR1 P48145 1/20 0.32
CNR1 P21554 1/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CHRM1 P11229 1/20 0.31
MGAT2 Q10469 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL12366588 0.91 NR1H2 (0.41) NR1H2NR1H3RXRAGNRHRALDH1A1
Hydrochloric Acid SCHEMBL2263835 0.90 NR1H2 (0.40) NR1H2NR1H3RXRAGNRHRALDH1A1
SCHEMBL2264665 0.89 NR1H2 (0.51) NR1H2NR1H3RXRABACE1GNRHR
SCHEMBL12390196 0.89 NR1H2 (0.54) NR1H2NR1H3RXRABACE1GNRHR
SCHEMBL6215062 0.84 NR1H2 (0.51) NR1H2NR1H3RXRABACE1
SCHEMBL2263400 0.83 NR1H2 (0.69) NR1H2NR1H3RXRAALDH1A1MAPT
SCHEMBL1033748 0.83 NR1H2 (0.50) NR1H2NR1H3RXRABACE1ALDH1A1
SCHEMBL6215068 0.82 NR1H2 (0.50) NR1H2NR1H3RXRABACE1
SCHEMBL12366818 0.82 NR1H2 (0.49) NR1H2NR1H3RXRABACE1ALDH1A1
SCHEMBL12390189 0.81 NR1H2 (0.46) NR1H2NR1H3RXRABACE1ALDH1A1

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-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 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885

“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.