SCHEMBL4595459

SCHEMBL4595459

COc1cc(C)c(C(=O)c2c(C(F)(F)F)ccnc2SC)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
MEN1 O00255 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAK O14976 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHB6 O15197 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
SCHEMBL4595560 0.84 MAPT (0.39) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL6738081 0.78 ALDH1A1 (0.44) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL675920 0.77 MAPT (0.35) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL4595702 0.76 MAPT (0.47) LMNAMAPTALDH1A1KDM4ECYP1A2
SCHEMBL6740161 0.76 ALDH1A1 (0.39) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL677164 0.75 ALDH1A1 (0.36) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL676827 0.74 AURKA (0.45) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL27813524 0.74 ACHE (0.45) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL675590 0.73 MAPT (0.37) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL675367 0.73 MAPT (0.37) LMNAMAPTALDH1A1KMT2AHTT

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 6 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
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
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 LMNA 4416/4885MAPT 4015/4885ALDH1A1 756/4885

“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.