SCHEMBL1148855

SCHEMBL1148855

CC(=O)Oc1c(C)c(C)nc2cc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.38
DHODH Q02127 1/20 0.36
DYRK1A Q13627 1/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL1148857 0.86 ICAM1 (0.38) DYRK1A
SCHEMBL1148982 0.83 SCN5A (0.38) ADORA3DHODHSCN5A
SCHEMBL1148755 0.79 ICAM1 (0.37) DYRK1A
SCHEMBL1149034 0.79 RAF1 (0.35) SCN5ASCN10A
SCHEMBL1148448 0.78 ADORA3 (0.36) ADORA3DHODHDYRK1AHCRTR1
SCHEMBL28446571 0.78 BACE1 (0.39) DHODHSCN9ABACE1
SCHEMBL1148761 0.72 DYRK1A (0.37) ADORA3DYRK1A
SCHEMBL1147432 0.71 SLC6A2 (0.39) ADORA3DYRK1A
SCHEMBL1148932 0.70 SLC6A2 (0.37) DYRK1A
SCHEMBL2819557 0.70 HTT (0.35)

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 ADORA3 2060/4885DHODH 56/4885DYRK1A 3476/4885

“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.