SCHEMBL2044795

SCHEMBL2044795

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.50
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
TP53 P04637 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2045082 0.94 HTR6 (0.47) HTR6ALPLALPIHTR1ASLC6A2
SCHEMBL2048843 0.93 HTR6 (0.46) HTR6ALPLHTR1ASLC6A2SLC6A4
SCHEMBL4443492 0.92 HTR6 (0.45) HTR6ALPLALPIHTR1ASLC6A2
SCHEMBL2047601 0.92 HTR6 (0.41) HTR6ALPLALPITP53KMT2A
SCHEMBL2047117 0.90 ALPL (0.40) HTR6ALPLALPIKMT2A
SCHEMBL2047516 0.88 ALPL (0.42) HTR6ALPLALPITP53HTR1A
SCHEMBL2047435 0.87 HTR1A (0.35) HTR6ALPLHTR1ASLC6A2SLC6A4
SCHEMBL2048217 0.86 HTR6 (0.36) HTR6HTR1ASLC6A2SLC6A4KMT2A
SCHEMBL2047453 0.86 ALPL (0.42) HTR6ALPLALPIKMT2A
SCHEMBL2047655 0.85 HTR1A (0.34) HTR6ALPLALPIHTR1ASLC6A2

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 HTR6 1460/4885ALPL 2778/4885ALPI 4737/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR6 1836/4885ALPL 2326/4885ALPI 4685/4885

“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.