SCHEMBL6991338

SCHEMBL6991338

CN(C)S(=O)(=O)n1c(C#N)nc2cc3c(cc21)OC(F)(F)C(F)(F)O3

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8028026 0.92 KDM4E (0.33) KDM4EGAASMN1; SMN2
SCHEMBL6996949 0.86
SCHEMBL7575344 0.83
SCHEMBL9077201 0.77 KDM4E (0.40) KDM4EGAASMN1; SMN2
SCHEMBL8167767 0.77
SCHEMBL9074842 0.73 SMN1; SMN2 (0.42) KDM4EGAASMN1; SMN2
SCHEMBL9077271 0.73 SMN1; SMN2 (0.42) KDM4EGAASMN1; SMN2
SCHEMBL10961029 0.72 SMN1; SMN2 (0.39) KDM4EGAASMN1; SMN2
SCHEMBL11013912 0.72 S1PR1 (0.42) KDM4EGAASMN1; SMN2
SCHEMBL9506024 0.71 SMN1; SMN2 (0.64) KDM4EGAASMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844998-B1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER CROPSCIENCE AG (DE) 2003-04-23 EP disclosed
US-20030027842-A1 Halogenobenzimidazoles ASSMANN LUTZ (DE) 2003-02-06 US disclosed
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-6387939-B1 PLANT SAFENING AGNETS; FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-20020026059-A1 Benzimidazole derivatives ASSMANN LUTZ (DE) 2002-02-28 US disclosed
US-6268508-B1 FOR CROP PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed
US-6235765-B1 CONTROLLING DISEASES IN FRUITS, VEGETABLES; PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
US-6160001-A Halobenzimidazoles and their use as microbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
US-6127547-A FOR CROP PROTECTION; SUCH AS 2-BROMO-6,6-DIFLUORO(1,3)DIOXOLO(4,5-F)BENZIMIDAZOLE BAYER AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
US-6103745-A USEFUL FOR HIGH FUNGICIDAL, INSECTICIDAL AND ACARICIDAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
US-6020354-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-01 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
US-5925663-A Benzimidazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed
EP-0758332-B1 SUBSTITUTED BENZIMIDAZOLES FOR PEST CONTROL BAYER AG (DE) 1999-07-07 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
EP-0758332-A1 SUBSTITUTED BENZIMIDAZOLES FOR PEST CONTROL BAYER AG (DE) 1997-02-19 EP disclosed
WO-1996032395-A1 BENZIMIDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-10-17 WO disclosed
WO-1995030677-A1 SUBSTITUTED BENZIMIDAZOLES FOR PEST CONTROL BAYER AKTIENGESELLSCHAFT (DE) 1995-11-16 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 (2 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 KDM4E 1066/4885GAA 232/4885SMN1; SMN2 3788/4885
US-20030027842-A1 Halogenobenzimidazoles MSR1, MRPS23, CBR1 KDM4E 1295/4885GAA 2210/4885SMN1; SMN2 4773/4885

“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.