SCHEMBL2049538

SCHEMBL2049538

CS(=O)(=O)c1ccccc1Oc1ccc(Cl)[n+]([O-])n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
GCK P35557 7/20 0.32
ADRA1D P25100 4/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR1H3 Q13133 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
SCHEMBL2051320 0.73 NPSR1 (0.32) RAB9AMEN1NPC1TSHRKMT2A
SCHEMBL7450024 0.70 HTR2A (0.47) HSD11B1NR1I2PTGS2PTGS1RAB9A
SCHEMBL2047131 0.69
SCHEMBL16168677 0.69 PTGS1 (0.45) ADRA2AADRA2BADRA2CGCKPTGS2
SCHEMBL2050392 0.67
SCHEMBL10022356 0.66 ADRA2A (0.40) ADRA2AADRA2BADRA2CGCKMEN1
SCHEMBL2051737 0.65 SMN1; SMN2 (0.40) RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2048822 0.65 HSD11B1 (0.41) HSD11B1NR1I2ADRA2AADRA2BADRA2C
SCHEMBL7983100 0.65 NR1H3 (0.39) ADRA2AADRA2BADRA2CGCKMEN1
SCHEMBL13875927 0.64 EPHX2 (0.44) GCKRAB9AMEN1KMT2ANR1H3

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 HSD11B1 586/4885NR1I2 514/4885ADRA2A 465/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HSD11B1 696/4885NR1I2 541/4885ADRA2A 747/4885

“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.