SCHEMBL457646

SCHEMBL457646

FC(F)(F)Oc1ccccc1-c1c[c]c(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.44
TRPA1 O75762 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
S1PR1 P21453 6/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL456578 0.83 SCN9A (0.48) SCN9ATRPA1FFAR4S1PR1ALOX5AP
SCHEMBL458833 0.81 SCN9A (0.44) SCN9ATRPA1FFAR4S1PR1ALOX5AP
SCHEMBL457764 0.81 SCN9A (0.44) SCN9ATRPA1FFAR4S1PR1ALOX5AP
SCHEMBL455625 0.81 SCN9A (0.44) SCN9ATRPA1FFAR4S1PR1ALOX5AP
SCHEMBL15063737 0.79 PTPRC (0.45) L3MBTL1ALDH1A1KDM4E
SCHEMBL457476 0.78 FFAR4 (0.42) SCN9ATRPA1FFAR4S1PR1ALOX5AP
SCHEMBL455755 0.78 S1PR1 (0.44) SCN9ATRPA1FFAR4S1PR1ALOX5AP
SCHEMBL456307 0.76 FFAR4 (0.43) SCN9ATRPA1FFAR4S1PR1ALOX5AP
SCHEMBL457670 0.76 AR (0.44) SCN9ATRPA1FFAR4ALOX5APFEN1
SCHEMBL3543334 0.74 SCN9A (0.46) SCN9ATRPA1FFAR4ALOX5APFEN1

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 SCN9A 4789/4885TRPA1 3483/4885FFAR4 4564/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 SCN9A 4789/4885TRPA1 3483/4885FFAR4 4564/4885

“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.