SCHEMBL3763398

SCHEMBL3763398

CC=CCCOc1cccc(CN)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KCNH2 Q12809 1/20 0.38
F2 P00734 1/20 0.37
PNMT P11086 1/20 0.37
ENPP2 Q13822 1/20 0.37
DHFR P00374 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3770884 0.92 MAOB (0.43) MAOBNOS1NOS2IDO1AGXT
SCHEMBL3770972 0.91 PPARA (0.42) MAOBNOS1NOS2KDM4EALDH1A1
SCHEMBL3764400 0.90 PPARA (0.44) MAOBKDM4EALDH1A1DHFRTSHR
SCHEMBL3775414 0.86 MAOB (0.43) MAOBNOS1NOS2KDM4EALDH1A1
SCHEMBL3657459 0.86 MAOB (0.43) MAOBNOS1NOS2IDO1AGXT
SCHEMBL3772898 0.84 MAOB (0.46) MAOBNOS1NOS2IDO1AGXT
SCHEMBL3764368 0.84 PPARA (0.50) MAOBDHFRTSHR
SCHEMBL3766493 0.81 MAOB (0.43) MAOBNOS1NOS2TAAR1KDM4E
SCHEMBL3110653 0.80 KCNH2 (0.54) MAOBNOS1NOS2KCNH2PNMT
SCHEMBL3660582 0.79 PPARA (0.45) MAOBNOS1NOS2KDM4EALDH1A1

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 MAOB 667/4885NOS1 2162/4885NOS2 1659/4885

“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.