SCHEMBL921862

SCHEMBL921862

C=CCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MET P08581 1/20 0.39
LIG1 P18858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RCE1 Q9Y256 1/20 0.39
ADORA2A P29274 2/20 0.38
CHRM4 P08173 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL920764 0.90 KDM4E (0.40) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL920765 0.90 LIG1 (0.40) KLKB1METLIG1ALDH1A1HPGD
SCHEMBL920622 0.90 KLKB1 (0.39) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL920708 0.89 KLKB1 (0.41) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL920707 0.89 KLKB1 (0.41) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL922311 0.89 MET (0.39) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL921699 0.89 KLKB1 (0.41) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL921700 0.89 KLKB1 (0.41) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL923088 0.88 MET (0.39) KLKB1METALDH1A1HPGDKDM4E
SCHEMBL920017 0.88 ADORA2A (0.44) KLKB1METALDH1A1HPGDKDM4E

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 4691/4885CHRNB2 4823/4885CHRNB4 4840/4885

“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.