SCHEMBL2291871

SCHEMBL2291871

C#CCOc1ccc(C(=O)NCC(C)(C)O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
PDE4B Q07343 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
LRRK2 Q5S007 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL13325328 0.92 CYP2B6 (0.53) CYP2B6KMT2AMEN1PDE4BNR1H4
SCHEMBL3305409 0.88 CYP2B6 (0.50) CYP2B6KMT2AMEN1PDE4BNR1H4
SCHEMBL3284929 0.84 CYP2B6 (0.55) CYP2B6KMT2AMEN1PDE4BNR1H4
SCHEMBL3288060 0.82 CYP2B6 (0.51) CYP2B6KMT2AMEN1PDE4BNR1H4
SCHEMBL3287835 0.82 CYP2B6 (0.53) CYP2B6KMT2AMEN1PDE4BNR1H4
SCHEMBL2287396 0.81 CYP2B6 (0.50) CYP2B6KMT2AMEN1PDE4BRAB9A
SCHEMBL13325333 0.81 CYP2B6 (0.52) CYP2B6KMT2AMEN1PDE4BTP53
SCHEMBL4247571 0.81 PDE4A (0.55) CYP2B6KMT2AMEN1PDE4BROCK2
SCHEMBL3288790 0.80 CYP2B6 (0.56) CYP2B6PDE4BRAB9AMAPTLMNA
SCHEMBL3286569 0.80 CYP2B6 (0.51) CYP2B6KMT2AMEN1PDE4BTP53

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-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
EP-2151432-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP 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-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 CYP2B6 726/4885KMT2A 1706/4885MEN1 3175/4885

“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.