SCHEMBL13516544

SCHEMBL13516544

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1C(F)(F)F)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 17/20 0.36
▸ ABCC9 O60706 5/20 0.33
▸ ABCC8 Q09428 5/20 0.33
▸ KCNJ8 Q15842 5/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ P2RX1 P51575 1/20 0.31

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
SCHEMBL13515944 0.95 KCNJ11 (0.38) KCNJ11ABCC9ABCC8KCNJ8HDAC1
SCHEMBL13516108 0.93 KCNJ11 (0.36) KCNJ11ABCC9ABCC8KCNJ8HDAC1
SCHEMBL18726204 0.90 KCNJ11 (0.41) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13515965 0.89 KCNJ11 (0.36) KCNJ11ABCC9ABCC8KCNJ8HDAC1
SCHEMBL13516114 0.87 DRD4 (0.33) KCNJ11
SCHEMBL13515985 0.87 KCNJ11 (0.32) KCNJ11
SCHEMBL13516417 0.86 KCNJ11 (0.32) KCNJ11
SCHEMBL13516044 0.86 KCNJ11 (0.32) KCNJ11
SCHEMBL998628 0.86 KCNJ11 (0.32) KCNJ11
SCHEMBL13516162 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 2296/4885ABCC9 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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