SCHEMBL921058

SCHEMBL921058

Nc1ncccc1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
MAPK14 Q16539 2/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPK8 P45983 1/20 0.45
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
SORT1 Q99523 2/20 0.44

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
SCHEMBL920958 0.93 MAPK14 (0.47) KCNQ3KCNQ2MAPK14PPARGPPARD
SCHEMBL921706 0.91 PPARG (0.54) KCNQ3KCNQ2MAPK14PPARGPPARD
SCHEMBL922539 0.90 FFAR1 (0.52) KCNQ3KCNQ2MAPK14PPARGPPARD
SCHEMBL920035 0.89 MAPK8 (0.45) MAPK14PPARDPPARAHDAC6MAPK8
SCHEMBL920722 0.88 MAPK14 (0.61) MAPK14HDAC6MAPK8SORT1
SCHEMBL921739 0.86 PPARA (0.50) KCNQ3KCNQ2MAPK14PPARGPPARD
SCHEMBL919622 0.85 MAPK14 (0.54) MAPK14HDAC6MAPK8
SCHEMBL921648 0.85 MAPK8 (0.55) MAPK8
SCHEMBL921389 0.85 MAPK8 (0.54) MAPK8PTGER4PTGER2
SCHEMBL921664 0.85 P2RX7 (0.47) MAPK14PPARGPPARDPPARAHDAC6

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 KCNQ3 3066/4885KCNQ2 3383/4885MAPK14 905/4885

“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.