SCHEMBL4681591

SCHEMBL4681591

CCCOC(=O)COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPOX P50336 7/20 0.47
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 3/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.32
DHODH Q02127 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
SCHEMBL4677084 0.96 PPOX (0.46) PPOXPKMGAAL3MBTL1ALDH1A1
SCHEMBL4678346 0.95 PPOX (0.45) PPOXPKMGAAL3MBTL1ALDH1A1
SCHEMBL39032 0.94 PPOX (0.53) PPOXPKMGAAL3MBTL1ALDH1A1
SCHEMBL22711541 0.90 PPOX (0.50) PPOXPKMGAAL3MBTL1ALDH1A1
SCHEMBL4681580 0.89 LMNA (0.44) PPOXPKMGAAL3MBTL1ALDH1A1
SCHEMBL7771312 0.88 PPOX (0.42) PPOXPKMGAAL3MBTL1ALDH1A1
SCHEMBL5969640 0.87 PPOX (0.40) PPOXPKMGAAALDH1A1MAPT
SCHEMBL39165 0.87 PPOX (0.40) PPOXPKMALDH1A1TDP1MAPT
SCHEMBL7775676 0.86 PPOX (0.41) PPOXPKMGAAL3MBTL1MAPT
SCHEMBL4683126 0.86 PPOX (0.41) PPOXPKMGAAL3MBTL1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP claimed
US-20040005986-A1 Pyridazin-3-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED 2004-01-08 US claimed
US-6090753-A 2-(SUBSTITUTED PHENYL), 5-HALOALKYL-PYRIDAZIN-3-ONE DERIVATIVES AS HERBICIDES; CONTROLLING WEEDS, METHOD OF MAKING BY REACTING A HYDRAZONE DERIVATIVE WITH A SPECIFIED PHOSPHORUS COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-07-18 US claimed
EP-0850227-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-01 EP claimed
WO-1997007104-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-27 WO claimed
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP disclosed
US-6869913-B1 Pyridazin-3-one derivatives, their use and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 US disclosed
US-6703503-B2 HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
US-20040005986-A1 Pyridazin-3-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED 2004-01-08 US disclosed
US-6482773-B1 Pyridazin-3-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-19 US disclosed
US-6348628-B1 HYDRAZONE HERBICIDE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
US-6090753-A 2-(SUBSTITUTED PHENYL), 5-HALOALKYL-PYRIDAZIN-3-ONE DERIVATIVES AS HERBICIDES; CONTROLLING WEEDS, METHOD OF MAKING BY REACTING A HYDRAZONE DERIVATIVE WITH A SPECIFIED PHOSPHORUS COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-07-18 US disclosed
WO-1997007104-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-27 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-20040005986-A1 Pyridazin-3-one derivatives, their use, and intermediates for their production Q6ZSR9, HDHD5, CBR3 PPOX 896/4885PKM 1238/4885GAA 2089/4885

“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.