SCHEMBL998320

SCHEMBL998320

O=C(Nc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1SC(F)F)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 6/20 0.35
ABCC9 O60706 2/20 0.32
ABCC8 Q09428 2/20 0.32
KCNJ8 Q15842 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL13516071 0.96 KCNJ11 (0.37) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1
SCHEMBL13516224 0.93 KCNJ11 (0.35) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1
SCHEMBL13516173 0.90 KCNJ11 (0.32) KCNJ11
SCHEMBL13516081 0.90 KCNJ11 (0.32) KCNJ11
SCHEMBL18726199 0.90 KCNJ11 (0.36) KCNJ11ABCC9ABCC8KCNJ8TAS1R3
SCHEMBL18726204 0.86 KCNJ11 (0.41) KCNJ11ABCC9ABCC8KCNJ8TAS1R3
SCHEMBL13516261 0.85 KCNJ11 (0.33) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516228 0.85 KCNJ11 (0.33) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL997992 0.85 KCNJ11 (0.38) KCNJ11ABCC9ABCC8KCNJ8TAS1R3
SCHEMBL13516049 0.85 KCNJ11 (0.35) KCNJ11ABCC9ABCC8KCNJ8SMN1; SMN2

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
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
EP-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 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-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC KCNJ11 2296/4885ABCC9 1634/4885ABCC8 1760/4885

“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.