SCHEMBL13515943

SCHEMBL13515943

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)Br)cc1S(=O)(=O)C(F)F)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 5/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ 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
SCHEMBL13515991 0.96 HTT (0.33) KCNJ11ENPP3ENPP1L3MBTL1TP53
SCHEMBL18726200 0.93 KCNJ11 (0.31) KCNJ11ENPP3ENPP1L3MBTL1TP53
SCHEMBL13516066 0.91 KCNJ11 (0.32) KCNJ11ENPP3ENPP1ABCC9ABCC8
SCHEMBL13515992 0.90 KCNJ11 (0.35) KCNJ11ENPP3ENPP1TP53ABCC9
SCHEMBL13516490 0.90 KCNJ11 (0.32) KCNJ11ENPP3ENPP1ABCC9ABCC8
SCHEMBL13516001 0.87 KCNJ11 (0.33) KCNJ11ENPP3ENPP1HTTABCC9
SCHEMBL13516495 0.86 KCNJ11 (0.36) KCNJ11ENPP3ENPP1TP53HTT
SCHEMBL13516024 0.85 KCNJ11 (0.33) KCNJ11ENPP3ENPP1ABCC9ABCC8
SCHEMBL13516096 0.85 KCNJ11 (0.32) KCNJ11ENPP3ENPP1
SCHEMBL13516258 0.85 KCNJ11 (0.32) KCNJ11ABCC9ABCC8KCNJ8

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
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

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 2296/4885ENPP3 1014/4885ENPP1 996/4885

“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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