SCHEMBL2268469

SCHEMBL2268469

Cc1cccc(-c2cc(C(F)(F)C(F)(F)C(F)(F)F)c(C#N)c(=O)n2Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
PDE9A O76083 1/20 0.42
PDE1C Q14123 1/20 0.42
HTT P42858 1/20 0.41
RXRA P19793 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL2262488 0.91 KDM4E (0.51) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2262033 0.90 RXRA (0.50) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2262229 0.89 ALDH1A1 (0.47) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2260043 0.86 NR1H2 (0.43) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL12390358 0.86 CNR1 (0.41) ALDH1A1HPGDHTTMAPTPKM
SCHEMBL2265442 0.86 RXRA (0.51) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2260723 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL2262345 0.84 RXRA (0.47) KDM4EALDH1A1HPGDPPARGNCOA2
SCHEMBL12366513 0.84 CNR1 (0.40) ALDH1A1HPGDNPSR1HTTMEN1
SCHEMBL2265763 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDPPARGNCOA2

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 3 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-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 KDM4E 1528/4885ALDH1A1 2744/4885HPGD 374/4885

“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.