SCHEMBL3772893

SCHEMBL3772893

C/C=C/COc1cccc(NC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.51
GAA P10253 1/20 0.38
AOC3 Q16853 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.35
BACE1 P56817 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3656853 1.00 APP (0.51) APPGAAAOC3NPC1RAB9A
SCHEMBL3659936 0.85 APP (0.50) APPGAAAOC3NPC1RAB9A
SCHEMBL3769189 0.85 APP (0.50) APPGAAAOC3NPC1RAB9A
SCHEMBL3763393 0.84 APP (0.49) APPRAB9AMEN1KMT2AMAPK1
SCHEMBL3661477 0.84 APP (0.49) APPRAB9AMEN1KMT2AMAPK1
SCHEMBL3654739 0.83 APP (0.48) APPGAAAOC3NPC1RAB9A
SCHEMBL3771342 0.83 APP (0.48) APPGAAAOC3NPC1RAB9A
SCHEMBL3770881 0.83 APP (0.48) APPMEN1KMT2AMAPK1MAPT
SCHEMBL3656935 0.83 APP (0.48) APPMEN1KMT2AMAPK1MAPT
SCHEMBL3659901 0.81 APP (0.47) APPSMN1; SMN2HTTTHRBTSHR

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 APP 2380/4885GAA 732/4885AOC3 349/4885

“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.