SCHEMBL676668

SCHEMBL676668

OCc1ncccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 3/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TOP1 P11387 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TDO2 P48775 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ABL1 P00519 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL9491684 0.86 KDM4E (0.43) ALDH1A1L3MBTL1HSD17B10HPGDBCL2L1
SCHEMBL30022235 0.85 ALDH1A1 (0.41) ALDH1A1L3MBTL1HSD17B10HPGDBCL2L1
SCHEMBL11779274 0.84 PDCD1 (0.50) ALDH1A1L3MBTL1KDM4EPDCD1CD274
SCHEMBL11311948 0.83 TOP1 (0.40) ALDH1A1L3MBTL1HSD17B10HPGDBCL2L1
SCHEMBL8150056 0.83 PTGS1 (0.42) ALDH1A1L3MBTL1HSD17B10KDM4ETOP1
SCHEMBL2181299 0.83 DPP4 (0.50) ALDH1A1L3MBTL1HSD17B10KDM4ETOP1
SCHEMBL8290932 0.83 NPC1 (0.46) ALDH1A1L3MBTL1HSD17B10KDM4ETOP1
SCHEMBL5655176 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10KDM4EHTT
SCHEMBL22290180 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1TOP1PTGS1ABL1
SCHEMBL5516950 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1PTGS1PTGS2ABL1

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 59 patents — showing the first 20. 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 claimed
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 claimed
US-20060089390-A1 3-benzoyl-2,4,5-substituted pyridine derivatives or salts thereof and bactericides containing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-04-27 US claimed
EP-1559320-A1 3-BENZOYL-2,4,5-SUBSTITUTED PYRIDINE DERIVATIVES OR SALTS THEREOF AND BACTERICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-03 EP claimed
US-6770662-B2 PLANT DISEASES; POWDERY MILDEW OF BARLEY, VEGETABLES, FRUITS AND FLOWERING PLANTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-08-03 US claimed
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 claimed
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 claimed
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 claimed
WO-2021103432-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF 江南大学 2021-06-03 WO disclosed
CN-110982799-B Alcohol dehydrogenase mutant and application thereof 江南大学 2021-05-28 CN disclosed
CN-110982799-A Alcohol dehydrogenase mutant and application thereof 江南大学 2020-04-10 CN disclosed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 US disclosed
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA (JP) 2017-07-06 US disclosed
US-9655362-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-05-23 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
EP-0946570-B1 PROCESS FOR THE PREPARATION OF AN ORGANOZINC REAGENT AVECIA LTD (GB) 2002-06-12 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
US-6258967-B1 REACTING ZINC HALIDE WITH ORGAOMETALLIC COMPOUNDS ZENECA LIMITED (GB) 2001-07-10 US disclosed
US-4906642-A Pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-03-06 US 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 (3 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A ALDH1A1 1473/4885L3MBTL1 737/4885HSD17B10 245/4885
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 ALDH1A1 756/4885L3MBTL1 3922/4885HSD17B10 866/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH ALDH1A1 1250/4885L3MBTL1 1570/4885HSD17B10 372/4885

“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.