SCHEMBL510463

SCHEMBL510463

CCc1[c]c(CC)cc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
KCNH2 Q12809 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
VCAM1 P19320 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
DRD2 P14416 1/20 0.31
GPR35 Q9HC97 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL4196636 0.87 CYP2A6 (0.38) CYP2A6TTRALBKCNH2ALDH1A1
SCHEMBL458539 0.76 CYP1A1 (0.31) HDAC8
SCHEMBL456682 0.74 CYP2A6 (0.42) CYP2A6MEN1KMT2AALDH1A1LOXL2
SCHEMBL1034870 0.73 CYP2A6 (0.36) CYP2A6
SCHEMBL5199687 0.70 CYP2A6 (0.58) CYP2A6TTRALBKCNH2MEN1
SCHEMBL2607125 0.70 CYP2A6 (0.58) CYP2A6TTRALBKCNH2MEN1
SCHEMBL457229 0.70
SCHEMBL455714 0.70 CYP2A6 (0.38) CYP2A6
SCHEMBL263267 0.69 NOS3 (0.34) ALDH1A1
SCHEMBL147391 0.69 PTGS2 (0.37) CYP2A6

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 18 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-9029295-B2 Pyridazinone compound and herbicide and noxious arthropod controlling agent comprising it SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-12 US disclosed
EP-2658845-B1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL CO (JP) 2015-02-25 EP 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-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL COMPANY,LIMITED (JP) 2013-10-24 US disclosed
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 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 (6 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 CYP2A6 8/4885TTR 774/4885ALB 2787/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 CYP2A6 5/4885TTR 3984/4885ALB 3294/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP2A6 47/4885TTR 1784/4885ALB 2606/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR CYP2A6 200/4885TTR 798/4885ALB 1944/4885
US-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT ACHE, CBR3, DDT CYP2A6 183/4885TTR 1630/4885ALB 1737/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP2A6 47/4885TTR 1784/4885ALB 2606/4885

“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.