SCHEMBL2808858

SCHEMBL2808858

COc1ccc(NC(=O)C(C)=COc2cccc(C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
RAB9A P51151 8/20 0.49
TP53 P04637 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
TSHR P16473 2/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KCNK3 O14649 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
KCNK9 Q9NPC2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2808853 1.00 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2810961 0.91 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2810955 0.91 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2812901 0.89 NPC1 (0.56) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2812903 0.89 NPC1 (0.56) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2811168 0.88 HTT (0.50) NPC1RAB9ASMN1; SMN2KCNK3GAA
SCHEMBL2811164 0.88 HTT (0.50) NPC1RAB9ASMN1; SMN2KCNK3GAA
SCHEMBL2808788 0.86 LMNA (0.45) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2808784 0.86 LMNA (0.45) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL2809949 0.85 RAB9A (0.54) NPC1RAB9ASMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 WO 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 NPC1 3668/4885RAB9A 1842/4885TP53 4572/4885

“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.