SCHEMBL2051795

SCHEMBL2051795

O=[N+]([O-])c1cccc(Cl)c1Oc1nnc(Cl)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.40
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
GPR35 Q9HC97 2/20 0.38
APEX1 P27695 1/20 0.38
HSPB1 P04792 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2046500 0.88 TSHR (0.40) MAPTPOLBALDH1A1SMN1; SMN2GPR35
SCHEMBL2053030 0.88 HSPB1 (0.43) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2050976 0.84 ALDH1A1 (0.37) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2047611 0.83 RARG (0.41) ALDH1A1KMT2A
SCHEMBL2047890 0.82 HPGD (0.52) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2049704 0.81 TDP1 (0.44) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL2047341 0.77 RARG (0.33) CXCR2
SCHEMBL2051593 0.77 HTR1A (0.41) ALDH1A1GAA
SCHEMBL2048155 0.77 RARG (0.33)
SCHEMBL2047471 0.77 RORC (0.38) MAPTGAAKDM4EL3MBTL1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 MAPT 4175/4885POLB 3808/4885ALDH1A1 447/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MAPT 3630/4885POLB 3884/4885ALDH1A1 762/4885

“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.