SCHEMBL921352

SCHEMBL921352

COc1cccc(CNC(=O)c2ccc(F)nc2N)c1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.52
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
RCE1 Q9Y256 1/20 0.52
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
ADORA2A P29274 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NLRP3 Q96P20 1/20 0.45
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 1/20 0.44
ROCK1 Q13464 1/20 0.43

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
SCHEMBL922493 0.91 KLKB1 (0.52) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL921845 0.90 KLKB1 (0.51) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL920971 0.89 LMNA (0.45) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL922942 0.87 KLKB1 (0.49) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL920632 0.87 ADORA2A (0.42) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL921126 0.86 ADORA2A (0.47) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL921080 0.85 ADORA2A (0.45) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL921827 0.84 KLKB1 (0.42) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL920718 0.84 ADORA2A (0.44) KLKB1HPGDALDH1A1KDM4ERCE1
SCHEMBL921073 0.84 ADORA2A (0.44) KLKB1HPGDALDH1A1KDM4ERCE1

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 4 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
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
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 4691/4885HPGD 1273/4885ALDH1A1 2743/4885

“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.