SCHEMBL2263648

SCHEMBL2263648

Cc1ccc(Cn2c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
HDAC4 P56524 1/20 0.42
GRIN2B Q13224 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CRBN Q96SW2 1/20 0.37
GPR119 Q8TDV5 5/20 0.37
SQOR Q9Y6N5 1/20 0.36
AKT1 P31749 1/20 0.36
TP53 P04637 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EPHX2 P34913 2/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL12390617 0.91 GRIN2B (0.42) HDAC4GRIN2BMEN1KMT2ACRBN
SCHEMBL2262542 0.89 RXRA (0.46) RXRANR1H2NR1H3GRIN2BMEN1
SCHEMBL12390628 0.87 RXRA (0.44) RXRANR1H2NR1H3GRIN2B
SCHEMBL12366780 0.87 HDAC4 (0.42) HDAC4GRIN2BMEN1KMT2ACRBN
Hydrochloric Acid SCHEMBL2268439 0.87 RXRA (0.44) RXRANR1H2NR1H3GRIN2B
SCHEMBL2266401 0.87 GPR119 (0.47) RXRANR1H2NR1H3GPR119EPHX2
SCHEMBL2266868 0.83 NR1H2 (0.52) RXRANR1H2NR1H3TP53
SCHEMBL2262223 0.82 RXRA (0.50) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL2266112 0.81 NR1H2 (0.56) RXRANR1H2NR1H3KMT2ATP53
SCHEMBL2388230 0.81 NR1H2 (0.54) RXRANR1H2NR1H3GRIN2BMEN1

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 5 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
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.