SCHEMBL921336

SCHEMBL921336

Nc1ncccc1C(=O)NCc1ccc(Oc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.42
SORT1 Q99523 1/20 0.41
P2RY1 P47900 6/20 0.41
GPR52 Q9Y2T5 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK14 Q16539 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL1680815 0.88 PDPK1 (0.41) KMT2A
SCHEMBL1680652 0.86 PDPK1 (0.44) POLB
SCHEMBL1680915 0.86 MAPK8 (0.40) KDM4EMEN1KMT2APOLB
SCHEMBL1681019 0.86 PIK3CD (0.42) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL1680415 0.85 MAPK8 (0.52) KDM4EMAPK14
SCHEMBL920195 0.84 MAPK14 (0.55) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL1681213 0.83 ADORA2A (0.40) KDM4E
SCHEMBL919622 0.83 MAPK14 (0.54) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL1680602 0.82 KMT2A (0.44) KMT2AMAPK14
SCHEMBL1680807 0.81 GAA (0.49) KDM4EMEN1CYP1A2CYP2C19KMT2A

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 KDM4E 3657/4885MEN1 4723/4885CYP1A2 2625/4885

“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.