SCHEMBL6993036

SCHEMBL6993036

FC(F)(F)C(F)(F)Oc1ccc2[nH]cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.42
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RY14 Q15391 1/20 0.36
PRKCI P41743 1/20 0.35
RAD52 P43351 1/20 0.34
KIF11 P52732 1/20 0.33
CDK1 P06493 4/20 0.33
CDK4 P11802 1/20 0.33
QPCT Q16769 1/20 0.33
PARP1 P09874 1/20 0.33
RUNX1 Q01196 1/20 0.32
CBFB Q13951 1/20 0.32
CYP3A4 P08684 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL5046499 0.87 MMP12 (0.45) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL2105843 0.77 MMP12 (0.45) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL225931 0.74 MMP12 (0.73) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL1266231 0.73 MMP12 (0.62) MMP12MAPTKDM4EBLMP2RY14
SCHEMBL31465271 0.73 MMP12 (0.62) MMP12MAPTKDM4EBLMP2RY14
SCHEMBL23366512 0.72 MMP12 (0.41) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL3162533 0.71 MMP12 (0.50) MMP12MAPTKDM4EALDH1A1
SCHEMBL6364797 0.71 MMP12 (0.46) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL31411494 0.70 PARP1 (0.60) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL1799379 0.70 QPCTL (0.45) MMP12MAPTKDM4EALDH1A1APEX1

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 9 patents. 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
US-6387939-B1 PLANT SAFENING AGNETS; FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6268508-B1 FOR CROP PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-31 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-6020354-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-01 US disclosed
EP-0844998-A1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER AG (DE) 1998-06-03 EP disclosed
WO-1997006171-A1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 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-20030027842-A1 Halogenobenzimidazoles MSR1, MRPS23, CBR1 MMP12 1483/4885MAPT 4367/4885KDM4E 1295/4885

“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.