SCHEMBL4678988

SCHEMBL4678988

COC(=S)Cc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MCHR1 Q99705 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHODH Q02127 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4681745 0.91 MEN1 (0.37) ALDH1A1TDP1MAPTHPGDLMNA
SCHEMBL4679224 0.87 P2RX7 (0.33) ALDH1A1MAPTP2RX7GAAATM
SCHEMBL4677777 0.82 NPBWR1 (0.33) NPBWR1MCHR1P2RX7DHODH
SCHEMBL6794821 0.78 PPOX (0.44) NPBWR1ALDH1A1MCHR1MAPTMAPK1
SCHEMBL5388413 0.77 GAA (0.37) NPBWR1ALDH1A1MCHR1HPGDGAA
SCHEMBL8548321 0.76 PPOX (0.38) MAPK1HPGDLMNAL3MBTL1MEN1
SCHEMBL4679229 0.75 GAA (0.38) ALDH1A1MAPK1LMNAGAAATM
SCHEMBL4683040 0.75 GAA (0.34) ALDH1A1TDP1GAAATML3MBTL1
SCHEMBL4677762 0.75 MEN1 (0.41) ALDH1A1TDP1MAPK1HPGDLMNA
SCHEMBL4681493 0.74 PPOX (0.43) ALDH1A1MAPK1GAAATMDHODH

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
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 NPBWR1 2484/4885ALDH1A1 330/4885MCHR1 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.