SCHEMBL921550

SCHEMBL921550

Nc1cc(F)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
MAPK14 Q16539 1/20 0.52
PTGER4 P35408 5/20 0.47
LIPG Q9Y5X9 2/20 0.47
PTGER2 P43116 2/20 0.47
SCN9A Q15858 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
CHRM4 P08173 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL921276 0.81 CYP3A4 (0.54) CYP3A4MAPK14PTGER4LIPGPTGER2
SCHEMBL921552 0.80 CYP3A4 (0.53) CYP3A4MAPK14PTGER4LIPGPTGER2
SCHEMBL920822 0.76 CYP3A4 (0.54) CYP3A4MAPK14PTGER4LIPGPTGER2
SCHEMBL920506 0.76 CYP3A4 (0.54) CYP3A4MAPK14PTGER4LIPGPTGER2
SCHEMBL21332740 0.75 LIPG (0.56) CYP3A4MAPK14PTGER4LIPGPTGER2
SCHEMBL920459 0.74 LIPG (0.55) CYP3A4MAPK14PTGER4LIPGPTGER2
SCHEMBL920343 0.73 KMT2A (0.61) CYP3A4MAPK14PTGER4LIPGPTGER2
SCHEMBL920665 0.72 GALR3 (0.54) CYP3A4MAPK14PTGER4PTGER2L3MBTL1
SCHEMBL922348 0.71 MAPK14 (0.55) CYP3A4MAPK14CHRM4
SCHEMBL920779 0.71 LIPG (0.51) CYP3A4MAPK14PTGER4LIPGPTGER2

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 CYP3A4 3076/4885MAPK14 905/4885PTGER4 3181/4885

“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.