SCHEMBL2260043

SCHEMBL2260043

Cc1cccc(-c2cc(C(F)(F)C(F)(F)C(F)(F)F)c(C#N)c(=O)n2Cc2ccc(C)cc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.43
NR1H3 Q13133 4/20 0.43
RXRA P19793 3/20 0.43
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 7/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
AR P10275 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 3/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
GRIA2 P42262 1/20 0.33

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
SCHEMBL2263849 0.94 NR1H2 (0.44) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2264167 0.90 NR1H2 (0.51) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2264169 0.89 NR1H2 (0.45) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL12390562 0.87 NR1H2 (0.44) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2261874 0.87 RXRA (0.50) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2268469 0.86 KDM4E (0.45) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL14944127 0.86 NR1H2 (0.35) NR1H2NR1H3RXRAMAPTKMT2A
SCHEMBL12366518 0.85 NR1H2 (0.34) NR1H2NR1H3RXRA
SCHEMBL2263811 0.83 NR1H2 (0.59) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL4905701 0.83 NR1H2 (0.49) NR1H2NR1H3RXRAALDH1A1KDM4E

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 6 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
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.