SCHEMBL458527

SCHEMBL458527

Cc1[c]cc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.41
KCNH2 Q12809 3/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
DYRK1A Q13627 5/20 0.40
CLK2 P49760 1/20 0.40
HASPIN Q8TF76 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
XDH P47989 1/20 0.39
GALR1 P47211 1/20 0.39
S1PR1 P21453 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SLC6A7 Q99884 1/20 0.38

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) DHODHKCNH2SCN10ADYRK1ASLC13A5
SCHEMBL457242 0.82 KIF11 (0.45) KCNH2SCN10A
SCHEMBL455779 0.82 DHODH (0.41) DHODHKCNH2SCN10ADYRK1ASLC13A5
SCHEMBL15063560 0.82 DHODH (0.41) DHODHKCNH2SCN10ADYRK1ASLC13A5
SCHEMBL15063948 0.82 NPY5R (0.40) DHODHKCNH2SCN10ADYRK1ASLC13A5
SCHEMBL456996 0.81 CTSS (0.44) DHODHKCNH2SCN10ASLC13A5FFAR1
SCHEMBL15063718 0.81 CYP1A1 (0.53) DYRK1AXDH
SCHEMBL454502 0.80 CTSS (0.48) DHODHKCNH2SCN10ASLC13A5FFAR1
SCHEMBL361619 0.80 XDH (0.42) DHODHKCNH2SCN10ADYRK1ASLC13A5
SCHEMBL1044062 0.79 CYP1A2 (0.51) DHODHKCNH2SCN10ADYRK1ASLC13A5

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 128/4885KCNH2 1628/4885SCN10A 4647/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 DHODH 128/4885KCNH2 1628/4885SCN10A 4647/4885

“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.