SCHEMBL3766432

SCHEMBL3766432

C=CCCCCOc1cccc(CN)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.42
MAOB P27338 2/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PRSS1 P07477 6/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3759807 0.98 PRSS1 (0.42) GLSMAOBNOS1NOS2PRSS1
SCHEMBL3764561 0.98 PRSS1 (0.42) GLSMAOBNOS1NOS2PRSS1
SCHEMBL3760044 0.95 L3MBTL1 (0.43) GLSMAOBNOS1NOS2PRSS1
SCHEMBL3766493 0.90 MAOB (0.43) GLSMAOBNOS1NOS2KDM4E
SCHEMBL17138168 0.85 KCNA3 (0.46) MAOBPRSS1ALDH1A1KDM4ETSHR
SCHEMBL12408537 0.85 PRSS1 (0.51) MAOBNOS1NOS2PRSS1ALDH1A1
SCHEMBL17138208 0.83 PRSS1 (0.46) MAOBPRSS1ALDH1A1KDM4ETSHR
SCHEMBL3770972 0.82 PPARA (0.42) MAOBNOS1NOS2PRSS1ALDH1A1
SCHEMBL3764400 0.81 PPARA (0.44) MAOBPRSS1ALDH1A1KDM4ETSHR
SCHEMBL3769700 0.81 PPARA (0.47) MAOBALDH1A1KDM4ETSHRL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 US 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 GLS 1313/4885MAOB 667/4885NOS1 2162/4885

“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.