SCHEMBL13516162

SCHEMBL13516162

CC(F)(F)Oc1cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc(I)c1NC(=O)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 7/20 0.32
▸ ABCC9 O60706 1/20 0.30
▸ ABCC8 Q09428 1/20 0.30
▸ KCNJ8 Q15842 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
SCHEMBL13516114 0.93 DRD4 (0.33) KCNJ11
SCHEMBL13516128 0.89 DRD4 (0.34) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL18726194 0.88 NPC1 (0.33) KCNJ11
SCHEMBL13516101 0.86 DRD4 (0.33) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516164 0.86 MYC (0.31) KCNJ11
SCHEMBL13516163 0.86 KCNJ11 (0.30) KCNJ11
SCHEMBL13516544 0.85 KCNJ11 (0.36) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516044 0.84 KCNJ11 (0.32) KCNJ11
SCHEMBL13516090 0.84 RAB9A (0.35) KCNJ11
SCHEMBL13515985 0.83 KCNJ11 (0.32) KCNJ11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.

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