SCHEMBL2052229

SCHEMBL2052229

COc1ccccc1Oc1nnc(Cl)cc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2047804 0.94 LMNA (0.45) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL2049794 0.89 LMNA (0.43) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL2050081 0.86 DHODH (0.42) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL2050291 0.85 POLB (0.40) ALDH1A1LMNAHTTKEAP1NFE2L2
SCHEMBL2050581 0.85 P2RY1 (0.41) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL2049810 0.85 KMT2A (0.47) ALDH1A1LMNAMAPTMAPK1KEAP1
SCHEMBL2050508 0.85 SCN9A (0.42) ALDH1A1LMNAMAPTMAPK1KEAP1
SCHEMBL2046304 0.85 KMT2A (0.42) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL2050269 0.83 KMT2A (0.41) ALDH1A1LMNAMAPTMAPK1KEAP1
SCHEMBL2044267 0.83 HTR6 (0.50) ALDH1A1LMNAMAPTMAPK1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 447/4885LMNA 3969/4885MAPT 4175/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885LMNA 3977/4885MAPT 3630/4885

“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.