SCHEMBL920972

SCHEMBL920972

Nc1nc(F)ccc1C(=O)NCc1ccc(Oc2cccc(OC(F)(F)F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
PTGER4 P35408 3/20 0.42
PTGER2 P43116 1/20 0.42
KLKB1 P03952 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 2/20 0.41
LIPG Q9Y5X9 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL921586 0.93 L3MBTL1 (0.46) HTR2CPTGER4PTGER2KLKB1ALDH1A1
SCHEMBL919533 0.91 ADORA2A (0.42) HTR2CPTGER4PTGER2KLKB1ALDH1A1
SCHEMBL921235 0.89 PTGER4 (0.42) PTGER4PTGER2ALDH1A1GAAHPGD
SCHEMBL920418 0.88 HTR2C (0.40) HTR2CPTGER4PTGER2KLKB1ALDH1A1
SCHEMBL920391 0.87 EPHX2 (0.49) HTR2CPTGER4KLKB1MAPK14LIPG
SCHEMBL920986 0.86 MAPK8 (0.46) HTR2CPTGER4PTGER2KLKB1ALDH1A1
SCHEMBL919829 0.85 MAPK14 (0.53) HTR2CKLKB1MAPK14LIPGEPHX2
SCHEMBL921339 0.85 KLKB1 (0.42) HTR2CPTGER4PTGER2KLKB1MAPK14
SCHEMBL921768 0.85 MAPK14 (0.50) ALDH1A1HPGDMAPK14PPARGPPARD
SCHEMBL922136 0.85 PTGER4 (0.45) HTR2CPTGER4PTGER2KLKB1MAPK14

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 HTR2C 4348/4885PTGER4 3181/4885PTGER2 3111/4885

“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.