SCHEMBL2047296

SCHEMBL2047296

Oc1ccccc1-n1cc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
SCN9A Q15858 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.38
GAA P10253 3/20 0.37
XDH P47989 1/20 0.36
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
PDE9A O76083 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL30482913 0.81 GRM4 (0.47) EPHX2CYP46A1GAAALDH1A1CYP1A2
SCHEMBL16797799 0.78 GAA (0.33) EPHX2SCN9AGAAIDO1ALDH1A1
SCHEMBL28851926 0.76 EPHX2 (0.39) EPHX2CYP46A1GAAXDHHSD17B10
SCHEMBL31149036 0.76 EPHX2 (0.46) EPHX2CYP46A1GAAXDHALDH1A1
SCHEMBL2045755 0.76 MTOR (0.44) GAAALDH1A1HPGDCYP1A2MAPT
SCHEMBL24352877 0.76 CYP3A4 (0.43) EPHX2CYP46A1ALDH1A1KDM4E
SCHEMBL31149031 0.76 MTOR (0.44) GAAALDH1A1HPGDCYP1A2MAPT
SCHEMBL23795208 0.76 EPHX2 (0.46) EPHX2CYP46A1GAAXDHALDH1A1
SCHEMBL30332214 0.76 PDE9A (0.41) EPHX2CYP46A1ALDH1A1PDE9AMAPT
SCHEMBL20273791 0.75 GAA (0.39) GAAIDO1ALDH1A1HSD17B10NPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227495-B2 Herbicidal compounds SYNGENTA CROP PROTECTION AG (CH) 2025-02-18 US disclosed
CN-112996780-B Herbicidal compounds 先正达农作物保护股份公司 2024-11-08 CN disclosed
EP-3877378-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-12-21 EP disclosed
EP-3877378-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-12-21 EP disclosed
US-20210387976-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-16 US disclosed
US-20210387976-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-16 US disclosed
EP-3877378-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-09-15 EP disclosed
CN-112996780-A Herbicidal compounds 先正达农作物保护股份公司 2021-06-18 CN disclosed
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP 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-12227495-B2 Herbicidal compounds DDT, NQO2, NHERF1 EPHX2 237/4885SCN9A 598/4885CYP46A1 2801/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 EPHX2 592/4885SCN9A 1564/4885CYP46A1 1990/4885
US-20210387976-A1 HERBICIDAL COMPOUNDS DDT, NQO2, NHERF1 EPHX2 237/4885SCN9A 598/4885CYP46A1 2801/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 EPHX2 579/4885SCN9A 1682/4885CYP46A1 2634/4885

“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.