SCHEMBL921096

SCHEMBL921096

CC#CCCCCOc1cccc(CNC(=O)c2ccc(F)nc2N)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
KLKB1 P03952 5/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RCE1 Q9Y256 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MAPK8 P45983 1/20 0.35
PDE10A Q9Y233 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
PRNP P04156 1/20 0.33

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
SCHEMBL919702 0.97 KLKB1 (0.39) METKLKB1ADORA2AADORA1HPGD
SCHEMBL920975 0.94 KLKB1 (0.39) METKLKB1ADORA2AADORA1HPGD
SCHEMBL921447 0.92 MET (0.39) METKLKB1ADORA2AADORA1HPGD
SCHEMBL921445 0.89 KLKB1 (0.38) METKLKB1ADORA2AADORA1HPGD
SCHEMBL920752 0.89 ADORA2A (0.38) METKLKB1ADORA2AADORA1HPGD
SCHEMBL920211 0.89 MET (0.38) METKLKB1ADORA2AADORA1HPGD
SCHEMBL921636 0.89 KLKB1 (0.38) METKLKB1ADORA2AADORA1HPGD
SCHEMBL921740 0.89 KLKB1 (0.40) METKLKB1ADORA2AADORA1HPGD
SCHEMBL920593 0.88 MET (0.38) METKLKB1ADORA2AADORA1HPGD
SCHEMBL918910 0.88 MAPK8 (0.43) METKLKB1ADORA2AADORA1HPGD

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 MET 3120/4885KLKB1 4691/4885ADORA2A 4433/4885

“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.