SCHEMBL455779

SCHEMBL455779

FC(F)(F)Oc1cccc(-c2c[c]c(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.41
SLC13A5 Q86YT5 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MPI P34949 1/20 0.39
XDH P47989 1/20 0.39
GALR1 P47211 1/20 0.39
DYRK1A Q13627 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
SERPINE1 P05121 1/20 0.38
SLC6A7 Q99884 1/20 0.38
NPY5R Q15761 1/20 0.38
USP7 Q93009 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PDE10A Q9Y233 1/20 0.37
GRM5 P41594 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL456791 0.83 SLC13A5 (0.41) DHODHSLC13A5FFAR1FFAR4XDH
SCHEMBL454722 0.82 AKR1C2 (0.42)
SCHEMBL15063560 0.82 DHODH (0.41) DHODHSLC13A5FFAR1FFAR4XDH
SCHEMBL458527 0.82 DHODH (0.41) DHODHSLC13A5FFAR1FFAR4XDH
SCHEMBL15063948 0.82 NPY5R (0.40) DHODHSLC13A5FFAR1FFAR4XDH
SCHEMBL15063803 0.80 CYP1A1 (0.47) XDHDYRK1A
SCHEMBL456996 0.78 CTSS (0.44) DHODHSLC13A5FFAR1FFAR4XDH
SCHEMBL455774 0.77 PRKDC (0.42) DHODHSLC13A5FFAR1FFAR4XDH
SCHEMBL454502 0.77 CTSS (0.48) DHODHSLC13A5FFAR1FFAR4XDH
SCHEMBL457115 0.76 MAOB (0.45) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (2 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 DHODH 128/4885SLC13A5 3137/4885FFAR1 4844/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 DHODH 128/4885SLC13A5 3137/4885FFAR1 4844/4885

“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.