SCHEMBL2047516

SCHEMBL2047516

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.42
ALPI P09923 1/20 0.42
HTR6 P50406 8/20 0.41
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
FBP1 P09467 1/20 0.33
ACHE P22303 1/20 0.32
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2044795 0.88 HTR6 (0.50) ALPLALPIHTR6HTR1ASLC6A2
SCHEMBL4443492 0.85 HTR6 (0.45) ALPLALPIHTR6HTR1ASLC6A2
SCHEMBL27607002 0.85 HTR6 (0.33) HTR6HTR1ASLC6A2SLC6A4
SCHEMBL2048843 0.85 HTR6 (0.46) ALPLHTR6HTR1ASLC6A2SLC6A4
SCHEMBL2047435 0.84 HTR1A (0.35) ALPLHTR6HTR1ASLC6A2SLC6A4
SCHEMBL2048217 0.84 HTR6 (0.36) HTR6HTR1ASLC6A2SLC6A4SMN1; SMN2
SCHEMBL2045082 0.84 HTR6 (0.47) ALPLALPIHTR6HTR1ASLC6A2
SCHEMBL2047655 0.82 HTR1A (0.34) ALPLALPIHTR6HTR1ASLC6A2
SCHEMBL2049804 0.82 HTR1A (0.34) HTR6HTR1ASLC6A2SLC6A4
SCHEMBL2048733 0.82 HTR1A (0.34) 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 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 ALPL 2778/4885ALPI 4737/4885HTR6 1460/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALPL 2326/4885ALPI 4685/4885HTR6 1836/4885

“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.