SCHEMBL2264439

SCHEMBL2264439

Cc1cccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2cccc(Br)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
KDM4E B2RXH2 6/20 0.42
HPGD P15428 5/20 0.42
ALDH1A1 P00352 5/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AR P10275 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL2262345 0.93 RXRA (0.47) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2263379 0.91 RXRA (0.45) LMNARXRANR1H2NR1H3KDM4E
SCHEMBL2262033 0.90 RXRA (0.50) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2261013 0.90 RXRA (0.52) LMNARXRANR1H2NR1H3KDM4E
SCHEMBL2265341 0.89 MAPT (0.46) LMNARXRANR1H2NR1H3KDM4E
SCHEMBL2264655 0.89 KDM4E (0.55) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2260064 0.88 RXRA (0.44) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2265861 0.88 RXRA (0.52) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2264949 0.88 RXRA (0.47) LMNARXRANR1H2NR1H3KDM4E
SCHEMBL2268946 0.87 RXRA (0.45) LMNARXRANR1H2NR1H3KDM4E

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 LMNA 695/4885RXRA 16/4885NR1H2 1/4885

“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.