SCHEMBL7602038

SCHEMBL7602038

Cc1c(C(F)(F)F)cnn(-c2c(F)cc(Cl)c[n+]2[O-])c1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
COMT P21964 1/20 0.32
NPBWR1 P48145 2/20 0.30
MCHR1 Q99705 2/20 0.30

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
SCHEMBL7600596 0.77 GAA (0.37) HSD11B1COMT
SCHEMBL8012346 0.76 HSD11B1 (0.43) HSD11B1COMT
SCHEMBL7537868 0.71 RAB9A (0.48) NPBWR1MCHR1
SCHEMBL8570147 0.70 GAA (0.33) HSD11B1COMTNPBWR1MCHR1
SCHEMBL28420010 0.70 GAA (0.33) COMTNPBWR1MCHR1
SCHEMBL31470291 0.70 GAA (0.33) COMTNPBWR1MCHR1
SCHEMBL4678151 0.69 COMT (0.40) COMTNPBWR1MCHR1
SCHEMBL7929963 0.69 GAA (0.31) COMT
SCHEMBL6979611 0.69 GAA (0.33) COMTNPBWR1MCHR1
SCHEMBL4677779 0.67 PPOX (0.43) NPBWR1MCHR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156285-A1 Novel herbicides KUNZ WALTER (CH) 2002-10-24 US disclosed
US-6369002-B1 HETERO IS PYRIMIDINE OR PYRIDAZINE; 1-(3-FLUORO-5-CHLORO PYRIDIN-2-YL)-3-METHYL-4-TRIFLUOROMETHYLPYRIMIDIN-2,6-DIONE SYNGENTA CROP PROPERTIES, INC. 2002-04-09 US disclosed
EP-1076656-A2 N-HETEROARYL-SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 2001-02-21 EP disclosed
WO-1999055693-A2 N-HETEROARYL-SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1999-11-04 WO 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 (1 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-20020156285-A1 Novel herbicides DDT, CBR1, CBR3 HSD11B1 463/4885COMT 2002/4885NPBWR1 323/4885

“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.