SCHEMBL509622

SCHEMBL509622

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL2466339 0.88
SCHEMBL147391 0.85 PTGS2 (0.37) PTGS2NOS3NOS1NOS2
SCHEMBL1395968 0.85 PTGS2 (0.37) PTGS2NOS3NOS1NOS2
SCHEMBL28453454 0.82 PTGS2 (0.36) PTGS2NOS3NOS1NOS2
SCHEMBL4195300 0.81
SCHEMBL466431 0.78 NOS3 (0.31) NOS3NOS2
SCHEMBL5050077 0.78 PTGS2 (0.33) PTGS2NOS3NOS1NOS2
SCHEMBL15067947 0.78 PTGS2 (0.33) PTGS2NOS3NOS1NOS2
SCHEMBL15068068 0.78 PTGS2 (0.33) PTGS2NOS3NOS1NOS2
SCHEMBL4195061 0.74 TSHR (0.30)

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3959332-A N-(2-NITRO-4-ARYLOXYSULFONYL-PHENYL)-ARYLENEDIAMINES, DYES SANDOZ LTD. (CH) 1976-05-25 US claimed
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-9096533-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-04 US disclosed
US-9096534-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-04 US 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
US-20150126738-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-05-07 US disclosed
US-20150126739-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-05-07 US disclosed
US-20100298142-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 US disclosed
US-20100248964-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO disclosed
US-20100210462-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2187744-A2 HERBICIDAL COMPOSITION COMPRISING A PYRIDAZINONE COMPOUND WITH A SPECIFIC HERBICIDE AND A SPECIFIC SAFENER Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
EP-1996557-B1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
WO-2009035145-A2 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed
EP-1996557-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES Sumitomo Chemical Company, Limited (JP) 2008-12-03 EP disclosed
WO-2007119434-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-25 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 (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-20100248964-A1 HERBICIDAL COMPOSITION CHRM2, CHRM1, WEE1 PTGS2 2090/4885NOS3 868/4885NOS1 1217/4885
US-20150126738-A1 PYRIDAZINONE COMPOUND AND USE THEREOF PDXK, PLPBP, PNPO PTGS2 1463/4885NOS3 1786/4885NOS1 1985/4885
US-20100210462-A1 HERBICIDAL COMPOSITION WEE1, WEE2, H1-3 PTGS2 2213/4885NOS3 913/4885NOS1 2163/4885
US-20150126739-A1 PYRIDAZINONE COMPOUND AND USE THEREOF PDXK, PLPBP, PNPO PTGS2 1463/4885NOS3 1786/4885NOS1 1985/4885
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides PDXK, DDT, PLPBP PTGS2 2092/4885NOS3 1881/4885NOS1 2219/4885
US-20100298142-A1 HERBICIDAL COMPOSITION CYP2W1, WEE2, CYP2J2 PTGS2 2471/4885NOS3 1923/4885NOS1 1790/4885

“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.