SCHEMBL4595502

SCHEMBL4595502

COc1cc(C)c(C(=O)c2c(Cl)nc(Cl)c(C(C)=O)c2C(F)(F)F)c(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
MAPT P10636 7/20 0.34
LMNA P02545 4/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNA3 P22001 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 3/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL434599 0.82 MAPT (0.34) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL29979255 0.82 MAPT (0.34) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL433743 0.81 MAPT (0.36) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL29979812 0.81 MAPT (0.36) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL4595917 0.81 MAPT (0.38) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL27813524 0.77 ACHE (0.45) CYP3A4MAPTLMNAGAAALDH1A1
SCHEMBL6249025 0.77 MAPT (0.33) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL675590 0.77 MAPT (0.37) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL675367 0.77 MAPT (0.37) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL4595560 0.77 MAPT (0.39) CYP1A2CYP3A4CYP2C19CYP2C9MAPT

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-1296952-B9 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2008-01-09 EP disclosed
EP-1296952-B1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2007-09-12 EP disclosed
CN-100336807-C Benzoylpyridine derivative or its salt, fungicide containing it as active ingredient, its production method and intermediate for producing it ISHIHARA SANGYO KAISHA (JP) 2007-09-12 CN disclosed
CN-1907969-A Benzoylpyridine derivative or its salt, disinfectant containing the same as active ingredient method for producing the same and intermediate for producing the same ISHIHARA SANGYO KAISHA (JP) 2007-02-07 CN disclosed
US-6770662-B2 PLANT DISEASES; POWDERY MILDEW OF BARLEY, VEGETABLES, FRUITS AND FLOWERING PLANTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-08-03 US disclosed
US-20030216444-A1 Benzoylpyridine derivative or its salt, fungicide containing it as an active ingredient, its production process and intermediate for producing it ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-11-20 US disclosed
CN-1440389-A Benzoylpyridine derivative or its salt, fungicide containing it as active ingredient, its production method and intermediate for producing it ISHIHARA SANGYO KAISHA (JP) 2003-09-03 CN disclosed
EP-1296952-A1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-04-02 EP disclosed
WO-2002002527-A1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-01-10 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-20030216444-A1 Benzoylpyridine derivative or its salt, fungicide containing it as an active ingredient, its production process and intermediate for producing it CBR1, KCNH1, CBR3 CYP1A2 14/4885CYP3A4 16/4885CYP2C19 47/4885

“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.