SCHEMBL2049442

SCHEMBL2049442

CN(C)S(=O)(=O)n1ccc(-c2ccccc2O)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MMP2 P08253 2/20 0.37
NT5E P21589 1/20 0.35
MAP2K1 Q02750 1/20 0.35
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4A O75164 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL2046276 0.82 IDO1 (0.40) MEN1KMT2ANPSR1IDO1SMN1; SMN2
SCHEMBL28894119 0.80 KMT2A (0.50) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL28894077 0.72 MAPT (0.40) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL2121883 0.72 CYP2A6 (0.42) CA12CA1CA2CA9
SCHEMBL1095492 0.71 KMT2A (0.55) MEN1KMT2ACA12CA1CA2
Hydrochloric Acid SCHEMBL30549511 0.70 KMT2A (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL12128393 0.70 HTT (0.47) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL16125119 0.69 SORD (0.37) MEN1KMT2ANPSR1CA1CA2
SCHEMBL25360339 0.68 MEN1 (0.37) MEN1KMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL959784 0.68 MEN1 (0.37) MEN1KMT2ANPSR1SMN1; SMN2TSHR

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 MEN1 4596/4885KMT2A 572/4885NPSR1 2143/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MEN1 4495/4885KMT2A 493/4885NPSR1 2101/4885

“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.