SCHEMBL6994892

SCHEMBL6994892

N#Cc1nc2cc3c(cc2[nH]1)OC(F)(F)C(F)(F)O3

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.46
▸ CSNK1E P49674 7/20 0.37
▸ CSNK1G3 Q9Y6M4 1/20 0.37
▸ ATP4A P20648 5/20 0.33
▸ ATP4B P51164 5/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ ATP1A1 P05023 1/20 0.31
▸ ATP1B1 P05026 1/20 0.31
▸ ATP1A3 P13637 1/20 0.31
▸ ATP1B2 P14415 1/20 0.31
▸ ATP1A2 P50993 1/20 0.31
▸ ATP1B3 P54709 1/20 0.31
▸ FXYD2 P54710 1/20 0.31
▸ ATP1A4 Q13733 1/20 0.31
▸ RET P07949 1/20 0.30
▸ RHEB Q15382 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
SCHEMBL6994033 0.88 PSMB8 (0.48) PSMB8CSNK1ECSNK1G3ATP4AATP4B
SCHEMBL10626657 0.73 KDM4E (0.51) CSNK1ECSNK1G3
Lithium Ion SCHEMBL29942329 0.73 PSMB8 (0.54) PSMB8RHEB
SCHEMBL29935431 0.71 PSMB8 (0.56) PSMB8RHEB
SCHEMBL29216479 0.69 PSMB8 (0.54) PSMB8RHEB
Lithium SCHEMBL30899067 0.69 PSMB8 (0.54) PSMB8RHEB
SCHEMBL10627035 0.69 PSMB8 (0.64) PSMB8RHEB
SCHEMBL8560478 0.67 CSNK1E (0.38) CSNK1ECSNK1G3ATP4AATP4BNPY5R
SCHEMBL1832199 0.67 PSMB8 (0.65) PSMB8
SCHEMBL15553070 0.66 FABP6 (0.49) CSNK1ECSNK1G3ATP4AATP4BNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758334-B1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2003-02-05 — — EP disclosed
US-20020026059-A1 Benzimidazole derivatives ASSMANN LUTZ (DE) 2002-02-28 — — US disclosed
US-6235765-B1 CONTROLLING DISEASES IN FRUITS, VEGETABLES; PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 — — US disclosed
US-6103745-A USEFUL FOR HIGH FUNGICIDAL, INSECTICIDAL AND ACARICIDAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2000-08-15 — — US disclosed
US-6090954-A 2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, 2,3-DICHLORO-2,3-DIFLUORO-6,7-DINITRO-(1,4)-BENZODIOXANE, AND 6,7-DIAMINO-2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, AND PREPARATION; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-18 — — US disclosed
US-6080776-A USED AS A MICROBIOCIDE FOR CROP PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2000-06-27 — — US disclosed
US-5990316-A Substituted (1,4)dioxino(2,3-F) 6,7-Dichloro-6,7-difluoro-2-trichloromethyl-[1,4]-dioxino-[2,3-f]-benzim idazole and their use in pest control BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 — — US disclosed
EP-0820457-A1 BENZIMIDAZOLE DERIVATIVES BAYER AG (DE) 1998-01-28 — — EP disclosed
US-5648316-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-15 — — US disclosed
EP-0758334-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AG (DE) 1997-02-19 — — EP disclosed
WO-1996032395-A1 BENZIMIDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-10-17 — — WO disclosed
WO-1995029918-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AKTIENGESELLSCHAFT (DE) 1995-11-09 — — WO 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-20020026059-A1 Benzimidazole derivatives BAK1, XDH, ZFX PSMB8 3533/4885CSNK1E 1476/4885CSNK1G3 1244/4885

“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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