SCHEMBL920493

SCHEMBL920493

CCC#CCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.38
ALDH1A1 P00352 2/20 0.37
MET P08581 1/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 3/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CHRM4 P08173 1/20 0.36
ADORA2B P29275 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
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

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
SCHEMBL921239 0.95 ADORA2A (0.38) KLKB1ALDH1A1METPOLBADORA2A
SCHEMBL921160 0.94 ADORA2A (0.38) KLKB1ALDH1A1METPOLBADORA2A
SCHEMBL921018 0.92 KLKB1 (0.39) KLKB1ALDH1A1METADORA2AADORA1
SCHEMBL922857 0.92 KLKB1 (0.39) KLKB1ALDH1A1METPOLBADORA2A
SCHEMBL921050 0.91 KLKB1 (0.39) KLKB1ALDH1A1METPOLBADORA2A
SCHEMBL922566 0.89 KLKB1 (0.39) KLKB1ALDH1A1METPOLBADORA2A
SCHEMBL920202 0.89 ADORA2A (0.41) KLKB1ALDH1A1METPOLBADORA2A
SCHEMBL922978 0.88 KLKB1 (0.39) KLKB1ALDH1A1METADORA2AADORA1
SCHEMBL920850 0.88 ADORA2A (0.47) KLKB1ALDH1A1METPOLBADORA2A
SCHEMBL921445 0.87 KLKB1 (0.38) KLKB1ALDH1A1METPOLBADORA2A

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 4691/4885ALDH1A1 2743/4885MET 3120/4885

“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.