SCHEMBL921728

SCHEMBL921728

N#Cc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
TRPA1 O75762 1/20 0.49
SCN5A Q14524 1/20 0.49
CYP19A1 P11511 1/20 0.47
AR P10275 4/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL923011 0.89 EPAS1 (0.47) SCN9ATRPA1SCN5AARADORA2A
SCHEMBL921695 0.87 EPAS1 (0.46) SCN9ATRPA1SCN5ACYP19A1AR
SCHEMBL921865 0.86 TRPA1 (0.49) SCN9ATRPA1SCN5ACYP19A1AR
SCHEMBL10927383 0.86 CYP19A1 (0.59) SCN9ACYP19A1ARMEN1MAPT
SCHEMBL14677803 0.81 MAPK14 (0.49) SCN9ATRPA1SCN5ASMN1; SMN2MAPK14
SCHEMBL29478762 0.81 GRM5 (0.48) SCN9ATRPA1SCN5ACETPADORA2A
SCHEMBL7073983 0.81 CYP19A1 (0.54) CYP19A1ARMEN1MAPTKMT2A
SCHEMBL689277 0.81 GRM5 (0.48) SCN9ATRPA1SCN5ACETPADORA2A
SCHEMBL5670014 0.81 CETP (0.54) MEN1MAPTKMT2AMITFALDH1A1
SCHEMBL201174 0.80 TRPA1 (0.53) SCN9ATRPA1SCN5AMEN1MAPT

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 3 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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO 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 SCN9A 1203/4885TRPA1 1073/4885SCN5A 385/4885

“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.