SCHEMBL920747

SCHEMBL920747

Cc1ccc(C(=O)NCc2ccc(Oc3ccc(C#N)cc3)cc2)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.48
KLKB1 P03952 2/20 0.48
KLK1 P06870 2/20 0.48
AKR1B1 P15121 1/20 0.47
EPHX2 P34913 1/20 0.45
PPARA Q07869 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
MAPK14 Q16539 2/20 0.42
PDPK1 O15530 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
STAT3 P40763 1/20 0.41
MMP13 P45452 1/20 0.41
CHRM4 P08173 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
SCHEMBL921767 0.90 KLKB1 (0.48) SCN9AKLKB1KLK1AKR1B1ADORA2A
SCHEMBL920695 0.88 MAPK14 (0.55) ADORA2AADORA1MAPK14SMN1; SMN2HTT
SCHEMBL919988 0.87 SCN9A (0.48) SCN9AKLKB1KLK1AKR1B1EPHX2
SCHEMBL922072 0.87 POLB (0.54) KLKB1KLK1EPHX2ADORA2AADORA1
SCHEMBL919964 0.86 MAPK14 (0.57) KLKB1KLK1EPHX2PPARAADORA2A
SCHEMBL921155 0.86 ADORA2A (0.47) ADORA2AADORA1MAPK14SMN1; SMN2HTT
SCHEMBL921286 0.86 ADORA2A (0.57) KLKB1ADORA2AADORA1SMN1; SMN2HTT
SCHEMBL920288 0.85 SCN9A (0.46) SCN9AKLKB1KLK1AKR1B1EPHX2
SCHEMBL921033 0.85 ADORA2A (0.53) PPARAADORA2AADORA1MAPK14SMN1; SMN2
SCHEMBL922074 0.85 ADORA2A (0.46) AKR1B1ADORA2AADORA1MAPK14SMN1; SMN2

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 SCN9A 1203/4885KLKB1 4691/4885KLK1 3727/4885

“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.