SCHEMBL2265341

SCHEMBL2265341

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RXRA P19793 2/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
TP53 P04637 3/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AR P10275 1/20 0.42
ICMT O60725 1/20 0.42
CTSK P43235 1/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39

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 0.94 RXRA (0.47) RXRANR1H2NR1H3GRIN1GRIN2B
SCHEMBL2261589 0.91 RXRA (0.45) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2262033 0.91 RXRA (0.50) MAPTRXRANR1H2NR1H3TP53
SCHEMBL2264655 0.90 KDM4E (0.55) MAPTRXRANR1H2NR1H3GRIN1
SCHEMBL2264231 0.89 RXRA (0.53) MAPTRXRANR1H2NR1H3GRIN1
SCHEMBL2260064 0.89 RXRA (0.44) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2264439 0.89 LMNA (0.46) RXRANR1H2NR1H3GRIN1GRIN2B
SCHEMBL2265861 0.89 RXRA (0.52) MAPTRXRANR1H2NR1H3TP53
SCHEMBL2264949 0.89 RXRA (0.47) MAPTRXRANR1H2NR1H3KDM4E
SCHEMBL2268946 0.88 RXRA (0.45) RXRANR1H2NR1H3GRIN1GRIN2B

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 4 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
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US 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 MAPT 4061/4885RXRA 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.