SCHEMBL1148990

SCHEMBL1148990

Cc1nc2ccc(-c3ccc(OC(F)(F)F)cc3)c(C(F)(F)F)c2c(O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.38
DHFR P00374 2/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
DHODH Q02127 2/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE10A Q9Y233 2/20 0.34
PDE2A O00408 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
AR P10275 1/20 0.34
HCRTR1 O43613 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
KIF11 P52732 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
SCHEMBL1148810 0.83 SLC6A4 (0.36) SCN5ADHFRPOLBL3MBTL1PDE10A
SCHEMBL1148448 0.82 ADORA3 (0.36) DHFRDHODHHCRTR1
SCHEMBL1148388 0.78 SLC6A4 (0.39) DHFRPOLBL3MBTL1PDE10APDE2A
SCHEMBL1149203 0.76 DHODH (0.35) AKR1C2AKR1C1DHODHPDE10APDE2A
SCHEMBL1148982 0.75 SCN5A (0.38) SCN5AGABBR2GABBR1DHODH
SCHEMBL2823352 0.74 PDE2A (0.31) PDE2A
SCHEMBL1148836 0.70 SLC6A4 (0.36) DHFRPOLB
SCHEMBL1149175 0.70 DHFR (0.34) SCN5ADHFRPDE10APDE2APDE7A
SCHEMBL21938185 0.69 GPR3 (0.46) SCN5AGABBR2GABBR1AURKATPX2
SCHEMBL3433915 0.67 AURKA (0.44) SCN5ADHFRAKR1C2AKR1C1DHODH

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-7880006-B2 4-Acetoxy-5-chloro-6-(4-chlorophenoxy)-2,3-dimethyl-quinoline, used as agricultural and horticultural insecticides MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20070203181-A1 Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2007-08-30 US disclosed
EP-1780202-A1 QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT MEIJI SEIKA KAISHA LTD. (JP) 2007-05-02 EP 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-20070203181-A1 Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient DDT, ACHE, NQO1 SCN5A 908/4885DHFR 1274/4885GABBR2 2227/4885

“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.