SCHEMBL2048136

SCHEMBL2048136

CN(C)S(=O)(=O)Oc1cc(Cl)nnc1Oc1ccccc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.37
ADRA2A P08913 6/20 0.37
ADRA2B P18089 6/20 0.37
ADRA2C P18825 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 4/20 0.36
SCN9A Q15858 1/20 0.35
HTR6 P50406 4/20 0.34
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL2050299 0.87 HTR1A (0.38) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL2045226 0.84 HTR6 (0.48) HTR1AL3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL2045919 0.83 DRD2 (0.45) HTR1ASLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL2047675 0.82 HTR1A (0.34) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL2044267 0.81 HTR6 (0.50) HTR1ASLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL2048114 0.80 ACHE (0.42) HTR1AADRA2AADRA2BADRA2CSYK
SCHEMBL2048067 0.78 HTR6 (0.41) SCN9AHTR6MEN1KMT2A
SCHEMBL2051457 0.78 L3MBTL1 (0.39) HTR1AADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL2049260 0.78 HTR1A (0.44) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL2047191 0.77 HTR6 (0.47) HTR1ASLC6A2SLC6A4SLC6A3HTR6

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 HTR1A 1326/4885ADRA2A 465/4885ADRA2B 736/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR1A 2135/4885ADRA2A 747/4885ADRA2B 1077/4885

“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.