SCHEMBL2047609

SCHEMBL2047609

Cc1ccc(S(=O)(=O)Oc2cc(Cl)nnc2Oc2ccc(C(C)(C)C)cc2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
HSD11B1 P28845 1/20 0.38
HSD17B3 P37058 1/20 0.38
NR1I2 O75469 9/20 0.36
EPAS1 Q99814 4/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PPARG P37231 1/20 0.34
KEAP1 Q14145 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
SCHEMBL2047482 0.83 ALDH1A1 (0.42) KMT2AHSD11B1HSD17B3MEN1ALDH1A1
SCHEMBL2050297 0.80 KMT2A (0.44) KMT2AGFERMEN1ALDH1A1LMNA
SCHEMBL2050581 0.80 P2RY1 (0.41) KMT2AHSD11B1HSD17B3MEN1ALDH1A1
SCHEMBL2047804 0.79 LMNA (0.45) KMT2AGFERMEN1ALDH1A1LMNA
SCHEMBL2047212 0.78 KMT2A (0.50) KMT2AGFERMEN1ALDH1A1LMNA
SCHEMBL2051466 0.77 KMT2A (0.38) KMT2AGFERMEN1ALDH1A1LMNA
SCHEMBL2049794 0.77 LMNA (0.43) KMT2AGFERMEN1ALDH1A1LMNA
SCHEMBL2050269 0.76 KMT2A (0.41) KMT2AGFERMEN1ALDH1A1LMNA
SCHEMBL2052229 0.76 ALDH1A1 (0.43) KMT2AGFERMEN1ALDH1A1LMNA
SCHEMBL4458038 0.76 NR1I2 (0.35) KMT2ANR1I2CA1CA2CA9

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 5 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
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
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 (1 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 KMT2A 572/4885HSD11B1 586/4885HSD17B3 380/4885

“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.