SCHEMBL13515970

SCHEMBL13515970

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KCNJ11 Q14654 5/20 0.32
▸ PDE4D Q08499 3/20 0.32
▸ PDE4B Q07343 3/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ABCB11 O95342 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
SCHEMBL13516056 0.96 POLB (0.35) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL13516094 0.94 POLB (0.34) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL12950918 0.93 NPC1 (0.33) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL18726194 0.90 NPC1 (0.33) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL13516049 0.90 KCNJ11 (0.35) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL13516097 0.90 DRD4 (0.33) KCNJ11
SCHEMBL12951218 0.89 POLB (0.35) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL12950901 0.87 POLB (0.34) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL999426 0.85 KCNJ11 (0.37) NPC1POLBRAB9ATDP1KCNJ11
SCHEMBL13516090 0.85 RAB9A (0.35) NPC1POLBRAB9ATDP1KCNJ11

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 NPC1 4669/4885POLB 4507/4885RAB9A 2235/4885

“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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