SCHEMBL2045226

SCHEMBL2045226

O=S(=O)(Oc1cc(Cl)nnc1Oc1ccccc1C1CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.48
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
MCOLN2 Q8IZK6 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
MCOLN1 Q9GZU1 1/20 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
SCHEMBL2044267 0.92 HTR6 (0.50) HTR6SCN9AALDH1A1HTR1ASLC6A2
SCHEMBL2048067 0.89 HTR6 (0.41) HTR6SCN9AALDH1A1
SCHEMBL2048843 0.87 HTR6 (0.46) HTR6METAP2METAP1HTR1ASLC6A2
SCHEMBL2047191 0.87 HTR6 (0.47) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2050299 0.87 HTR1A (0.38) HTR6SCN9AHTR1ASLC6A2SLC6A4
SCHEMBL2045919 0.85 DRD2 (0.45) SCN9AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2047675 0.84 HTR1A (0.34) HTR6SCN9AHTR1ASLC6A2SLC6A4
SCHEMBL2048136 0.84 HTR1A (0.37) HTR6SCN9AL3MBTL1HTR1ASLC6A2
SCHEMBL2045452 0.82 MEN1 (0.41) HTR6ALDH1A1METAP2METAP1L3MBTL1
SCHEMBL4443492 0.82 HTR6 (0.45) HTR6HTR1ASLC6A2SLC6A4

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 4 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
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US 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 HTR6 1460/4885SCN9A 1564/4885ALDH1A1 447/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR6 1836/4885SCN9A 1682/4885ALDH1A1 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.