SCHEMBL2046779

SCHEMBL2046779

CCC(C)c1ccccc1Oc1nnc(Cl)cc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 7/20 0.38
MEN1 O00255 6/20 0.38
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GAA P10253 3/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.34

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
SCHEMBL2046304 0.89 KMT2A (0.42) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL2047804 0.85 LMNA (0.45) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL2050081 0.84 DHODH (0.42) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL2049794 0.82 LMNA (0.43) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL1827694 0.82 LMNA (0.49) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL2052229 0.82 ALDH1A1 (0.43) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL2045952 0.80 ALDH1A1 (0.40) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL2046784 0.80 LMNA (0.38) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL2050508 0.79 SCN9A (0.42) LMNAMAPK1KMT2AMAPTMEN1
SCHEMBL2050581 0.79 P2RY1 (0.41) LMNAMAPK1KMT2AMAPTMEN1

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 LMNA 3969/4885MAPK1 1018/4885KMT2A 572/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 LMNA 3977/4885MAPK1 850/4885KMT2A 493/4885

“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.