SCHEMBL4677779

SCHEMBL4677779

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.43
NPBWR1 P48145 10/20 0.38
MCHR1 Q99705 7/20 0.38
BCAT2 O15382 1/20 0.37
BCAT1 P54687 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR6 P51684 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LRRK2 Q5S007 1/20 0.36
P2RX7 Q99572 1/20 0.36
DHODH Q02127 1/20 0.35

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
SCHEMBL4679803 0.89 PPOX (0.44) PPOXNPBWR1MCHR1ALDH1A1MAPT
SCHEMBL31442437 0.89 PPOX (0.44) PPOXNPBWR1MCHR1ALDH1A1MAPT
SCHEMBL4678823 0.88 PPOX (0.43) PPOXNPBWR1MCHR1ALDH1A1
SCHEMBL27824325 0.87 KDM4E (0.34) PPOXNPBWR1MCHR1ALDH1A1RAB9A
SCHEMBL8183347 0.85 PPOX (0.32) PPOXNPBWR1MCHR1LRRK2P2RX7
SCHEMBL27824328 0.85 DHODH (0.32) PPOXNPBWR1MCHR1ALDH1A1RAB9A
SCHEMBL4248457 0.85 PGK1 (0.35) PPOXNPBWR1MCHR1LRRK2
SCHEMBL8183753 0.85 PPOX (0.36) PPOXNPBWR1MCHR1LRRK2P2RX7
SCHEMBL4681580 0.85 LMNA (0.44) PPOXALDH1A1MAPTPKMMAPK1
SCHEMBL8570147 0.84 GAA (0.33) NPBWR1MCHR1RAB9A

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 14 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
EP-0850227-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-01 EP 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 896/4885NPBWR1 2484/4885MCHR1 2616/4885

“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.