SCHEMBL457242

SCHEMBL457242

Cc1[c]cc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
NOTUM Q6P988 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SCN5A Q14524 11/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGER4 P35408 1/20 0.37
PPARD Q03181 1/20 0.37
CYP1A2 P05177 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 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
SCHEMBL193403 0.85 GPR3 (0.39) KIF11NOTUM
SCHEMBL458527 0.82 DHODH (0.41) KCNH2SCN10A
SCHEMBL457663 0.80 KIF11 (0.42) KIF11NOTUMCA12CA9SCN5A
SCHEMBL454722 0.79 AKR1C2 (0.42) KIF11NOTUMCA12CA9SCN5A
SCHEMBL454922 0.79 KIF11 (0.41) KIF11NOTUMCA12CA9SCN5A
SCHEMBL459142 0.79 KIF11 (0.41) KIF11NOTUMCA12CA9SCN5A
SCHEMBL456803 0.78 KIF11 (0.42) KIF11NOTUMSCN5AAURKATPX2
SCHEMBL15063986 0.77 ESR2 (0.48) CA12CA9
SCHEMBL457655 0.77 KIF11 (0.41) KIF11NOTUMSCN5AAURKATPX2
SCHEMBL1044896 0.77 KIF11 (0.53) KIF11SCN5AAURKATPX2NISCH

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 7 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
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US 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 KIF11 2572/4885NOTUM 866/4885CA12 4451/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KIF11 2572/4885NOTUM 866/4885CA12 4451/4885

“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.