SCHEMBL921586

SCHEMBL921586

Nc1nc(F)ccc1C(=O)NCc1ccc(Oc2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
KLKB1 P03952 1/20 0.45
PTGER4 P35408 2/20 0.44
PTGER2 P43116 1/20 0.44
MAPK14 Q16539 4/20 0.43
HTR2C P28335 1/20 0.43
EGFR P00533 1/20 0.42
BTK Q06187 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EPHX2 P34913 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
SCHEMBL920972 0.93 HTR2C (0.43) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL920391 0.89 EPHX2 (0.49) KLKB1PTGER4MAPK14HTR2CLIPG
SCHEMBL921768 0.89 MAPK14 (0.50) ALDH1A1HPGDMAPK14
SCHEMBL920043 0.89 MAPK14 (0.45) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL921310 0.89 ALDH1A1 (0.45) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL919884 0.89 CARM1 (0.54) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL921057 0.89 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL922136 0.87 PTGER4 (0.45) KLKB1PTGER4PTGER2MAPK14HTR2C
SCHEMBL922265 0.87 PPARD (0.43) KLKB1PTGER4PTGER2MAPK14HTR2C
SCHEMBL921339 0.87 KLKB1 (0.42) KLKB1PTGER4PTGER2MAPK14HTR2C

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 L3MBTL1 1292/4885ALDH1A1 2743/4885GAA 3332/4885

“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.