SCHEMBL921441

SCHEMBL921441

C=CCCCCCOc1cccc(CNC(=O)c2ccc(F)nc2N)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
KLKB1 P03952 3/20 0.37
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
MAPK8 P45983 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RCE1 Q9Y256 1/20 0.35
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ROCK1 Q13464 2/20 0.33
AKR1B1 P15121 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
JAK3 P52333 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
SCHEMBL921016 0.99 MET (0.38) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL921363 0.96 KLKB1 (0.38) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL921633 0.93 KDM4E (0.41) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL923088 0.91 MET (0.39) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL922311 0.90 MET (0.39) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL920260 0.88 MET (0.39) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL920258 0.88 MET (0.39) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL920634 0.88 MAPK8 (0.43) METKLKB1MAPK8KDM4EHPGD
SCHEMBL919326 0.88 KLKB1 (0.40) METKLKB1ADORA2AADORA1MAPK8
SCHEMBL920718 0.88 ADORA2A (0.44) METKLKB1ADORA2AADORA1KDM4E

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.