SCHEMBL13516101

SCHEMBL13516101

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)Br)cc1OC(F)(F)F)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.33
▸ KCNJ11 Q14654 8/20 0.32
▸ ABCC9 O60706 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ8 Q15842 1/20 0.31
▸ MTOR P42345 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ TRPV1 Q8NER1 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
SCHEMBL13516128 0.96 DRD4 (0.34) DRD4KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516114 0.93 DRD4 (0.33) DRD4KCNJ11MTORENPP3ENPP1
SCHEMBL13516305 0.90 DRD4 (0.34) DRD4KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL998152 0.90 NPC1 (0.33) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516171 0.90 DRD4 (0.38) DRD4KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516027 0.87 DRD4 (0.34) DRD4KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516108 0.87 KCNJ11 (0.36) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516162 0.86 KCNJ11 (0.32) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL13516090 0.85 RAB9A (0.35) KCNJ11
SCHEMBL13516036 0.85 DRD4 (0.40) DRD4KCNJ11ABCC9ABCC8KCNJ8

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 DRD4 1527/4885KCNJ11 2296/4885ABCC9 1634/4885

“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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