SCHEMBL2812802

SCHEMBL2812802

CC(=COc1ccc2[nH]ccc2c1)C(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.47
MAOB P27338 3/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
FAAH O00519 1/20 0.42
NOTUM Q6P988 1/20 0.42
CHRNA7 P36544 1/20 0.41
HDAC1 Q13547 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL2812799 1.00 MAOA (0.47) MAOAMAOBNPC1MAPTRAB9A
SCHEMBL2808983 0.84 TDP1 (0.52) NPC1MAPTRAB9AHSD17B1HSD17B2
SCHEMBL2808987 0.84 TDP1 (0.52) NPC1MAPTRAB9AHSD17B1HSD17B2
SCHEMBL2807949 0.82 MAOA (0.49) MAOAMAOBNPC1MAPTRAB9A
SCHEMBL2807952 0.82 MAOA (0.49) MAOAMAOBNPC1MAPTRAB9A
SCHEMBL2811474 0.78 NAPRT (0.48) NPC1MAPTRAB9A
SCHEMBL2811479 0.78 NAPRT (0.48) NPC1MAPTRAB9A
SCHEMBL2808734 0.78 KMT2A (0.45) NPC1MAPTRAB9A
SCHEMBL2808739 0.78 KMT2A (0.45) NPC1MAPTRAB9A
SCHEMBL22418879 0.76 MAOA (0.55) MAOAMAOBNPC1MAPTRAB9A

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 MAOA 929/4885MAOB 1038/4885NPC1 3668/4885

“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.