SCHEMBL457758

SCHEMBL457758

CCc1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 3/20 0.40
PDK1 Q15118 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.34
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL29141200 0.87 ALDH1A1 (0.38) ALDH1A1HPGDTSHRPDK1TDP1
SCHEMBL3335602 0.86 ALDH1A1 (0.42) ALDH1A1HPGDTSHRTDP1POLB
SCHEMBL456636 0.85 PDK1 (0.41) ALDH1A1HPGDTSHRPDK1TDP1
SCHEMBL27416167 0.83 ALDH1A1 (0.40) ALDH1A1HPGDTSHRTDP1POLB
SCHEMBL11632629 0.83 ALDH1A1 (0.56) ALDH1A1HPGDTSHRTDP1HTT
SCHEMBL7290800 0.83 ALDH1A1 (0.43) ALDH1A1HPGDTSHRTDP1HTT
SCHEMBL6204415 0.83 ALDH1A1 (0.40) ALDH1A1HPGDTSHRTDP1POLB
SCHEMBL2765842 0.81
SCHEMBL27892168 0.80 ALDH1A1 (0.41) ALDH1A1HPGDTSHRPOLB
SCHEMBL8927043 0.79 ALDH1A1 (0.37) ALDH1A1HPGDTSHRTDP1POLB

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
CN-116903469-A Synthesis method of 4-nitrobenzophenone compound 台州学院 2023-10-20 CN disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US 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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 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
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 CN disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP disclosed
US-5663371-A Process for preparing polycyclic dyes ZENECA LIMITED (GB) 1997-09-02 US disclosed
EP-0673400-A1 POLYCYCLIC DYES BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
WO-1994012577-A2 POLYCYCLIC DYES ZENECA LIMITED (GB) 1994-06-09 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 (4 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 ALDH1A1 3850/4885HPGD 3908/4885TSHR 1117/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885HPGD 201/4885TSHR 2629/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885HPGD 201/4885TSHR 2629/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ALDH1A1 1019/4885HPGD 1114/4885TSHR 1336/4885

“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.