SCHEMBL921339

SCHEMBL921339

Nc1nc(F)ccc1C(=O)NCc1ccc(Oc2ccc(F)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.42
MAPK14 Q16539 2/20 0.41
HTR2C P28335 1/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.41
PTGER4 P35408 4/20 0.40
PTGER2 P43116 2/20 0.40
LIPG Q9Y5X9 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PDPK1 O15530 1/20 0.39
PDE2A O00408 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL922265 0.92 PPARD (0.43) KLKB1MAPK14HTR2CPPARDPPARA
SCHEMBL921159 0.92 HTR2C (0.43) KLKB1MAPK14HTR2CPPARDPPARA
SCHEMBL922052 0.91 PPARD (0.43) KLKB1MAPK14HTR2CPPARDPPARA
SCHEMBL920391 0.89 EPHX2 (0.49) KLKB1MAPK14HTR2CPPARDPPARA
SCHEMBL921868 0.87 PPARD (0.40) KLKB1MAPK14HTR2CPPARDPPARA
SCHEMBL919829 0.87 MAPK14 (0.53) KLKB1MAPK14HTR2CPPARDPPARA
SCHEMBL921586 0.87 L3MBTL1 (0.46) KLKB1MAPK14HTR2CPTGER4PTGER2
SCHEMBL922136 0.86 PTGER4 (0.45) KLKB1MAPK14HTR2CPPARDPPARA
SCHEMBL922230 0.86 MAPK14 (0.43) MAPK14PTGER4PTGER2LIPGPDPK1
SCHEMBL921412 0.86 MAPK8 (0.45) KLKB1MAPK14HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KLKB1 4691/4885MAPK14 905/4885HTR2C 4348/4885

“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.