SCHEMBL646644

SCHEMBL646644

FC(F)(F)Oc1ccccc1C(Br)c1ccccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
CYP2D6 P10635 3/20 0.37
KCNH2 Q12809 3/20 0.37
TRPA1 O75762 1/20 0.36
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL7339549 0.84 KCNK3 (0.40) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL1047239 0.80 KCNK3 (0.47) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL5608059 0.80 KCNK3 (0.38) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL29921054 0.80 TRPA1 (0.41) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL23835302 0.80 TRPA1 (0.41) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL28709564 0.79 KCNK3 (0.42) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL807278 0.79 KCNK3 (0.52) KCNK3KCNK9ALDH1A1CYP1A2CYP2C9
SCHEMBL24180095 0.78 KCNK3 (0.38) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL4654446 0.77 RXRA (0.47) KCNK3KCNK9ALDH1A1SLC6A2SLC6A4
SCHEMBL1729802 0.76 KCNK3 (0.43) KCNK3KCNK9ALDH1A1CYP1A2SLC6A2

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-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 KCNK3 2739/4885KCNK9 968/4885ALDH1A1 2697/4885

“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.