SCHEMBL922098

SCHEMBL922098

Nc1ncccc1C(=O)NCc1ccc(Oc2cccc(C(F)(F)F)c2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.43
ADORA2A P29274 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
MAPK14 Q16539 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL921180 0.91 MAPK8 (0.51) MAPK8KMT2AHDAC6HPGDL3MBTL1
SCHEMBL922231 0.91 KMT2A (0.46) MAPK8KMT2AHPGDALDH1A1ADORA2A
SCHEMBL920986 0.89 MAPK8 (0.46) MAPK8KMT2AHDAC6HPGDL3MBTL1
SCHEMBL921235 0.86 PTGER4 (0.42) KMT2AHPGDL3MBTL1ALDH1A1GAA
SCHEMBL920641 0.85 PTGER4 (0.41) HPGDL3MBTL1ALDH1A1GAAHTT
SCHEMBL921381 0.84 MAPK8 (0.52) MAPK8KMT2AHDAC6HPGDL3MBTL1
SCHEMBL921389 0.84 MAPK8 (0.54) MAPK8KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL922737 0.83 MAPK8 (0.47) MAPK8KMT2AHDAC6HPGDLMNA
SCHEMBL920883 0.83 RPS6KB1 (0.47) MAPK8KMT2AHDAC6HPGDLMNA
SCHEMBL920343 0.83 KMT2A (0.61) MAPK8KMT2AHPGDL3MBTL1LMNA

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 MAPK8 2313/4885KMT2A 2469/4885HDAC6 401/4885

“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.