SCHEMBL458346

SCHEMBL458346

CCc1[c]c(CC)cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 4/20 0.46
CYP19A1 P11511 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VCAM1 P19320 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR35 Q9HC97 1/20 0.37
ACHE P22303 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 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
SCHEMBL27731415 0.91 HTT (0.50) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL4192218 0.88 HTT (0.47) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL28789705 0.87 HTT (0.46) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL458041 0.76 POLB (0.43) HTTPOLBTSHRMEN1KMT2A
SCHEMBL5495288 0.73 HTT (0.57) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL9570744 0.73 HTT (0.57) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL15063599 0.72 POLB (0.35) HTTPOLBMEN1KMT2ALMNA
SCHEMBL11884435 0.71 HTT (0.39) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL28006841 0.71 TSHR (0.44) HTTPOLBTSHRCYP19A1MEN1
Pentane SCHEMBL21693644 0.70 CYP19A1 (0.56) HTTPOLBTSHRCYP19A1MEN1

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 20 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
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
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO 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 HTT 2979/4885POLB 3763/4885TSHR 270/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 HTT 2364/4885POLB 3977/4885TSHR 357/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HTT 2016/4885POLB 1257/4885TSHR 2629/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR HTT 4326/4885POLB 2021/4885TSHR 2378/4885
US-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT ACHE, CBR3, DDT HTT 2171/4885POLB 4250/4885TSHR 1981/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HTT 2016/4885POLB 1257/4885TSHR 2629/4885

“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.