SCHEMBL920444

SCHEMBL920444

CCCCC=CCOc1cccc(CNC(=O)c2ccc(F)nc2N)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MET P08581 1/20 0.37
LMNA P02545 1/20 0.37
MAPK8 P45983 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RCE1 Q9Y256 1/20 0.36
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ROCK1 Q13464 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL920442 1.00 KLKB1 (0.39) KLKB1ADORA2AADORA1METLMNA
SCHEMBL921066 0.95 KLKB1 (0.40) KLKB1ADORA2AADORA1METLMNA
SCHEMBL921068 0.95 KLKB1 (0.40) KLKB1ADORA2AADORA1METLMNA
SCHEMBL920450 0.92 KLKB1 (0.39) KLKB1ADORA2AADORA1METLMNA
SCHEMBL920449 0.92 KLKB1 (0.39) KLKB1ADORA2AADORA1METLMNA
SCHEMBL923324 0.91 KLKB1 (0.41) KLKB1ADORA2AADORA1METLMNA
SCHEMBL923323 0.91 KLKB1 (0.41) KLKB1ADORA2AADORA1METLMNA
SCHEMBL922343 0.89 KLKB1 (0.40) KLKB1ADORA2AADORA1METLMNA
SCHEMBL922342 0.89 KLKB1 (0.40) KLKB1ADORA2AADORA1METLMNA
SCHEMBL921499 0.88 LMNA (0.46) KLKB1ADORA2AADORA1METLMNA

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 4691/4885ADORA2A 4433/4885ADORA1 3433/4885

“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.