SCHEMBL4245835

SCHEMBL4245835

C#CCOc1ccc(C(=O)NCC2CCC(C)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.51
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2B6 P20813 1/20 0.48
F10 P00742 2/20 0.47
LRRK2 Q5S007 1/20 0.47
HTR4 Q13639 1/20 0.46
POLB P06746 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL4246249 0.96 MAPK14 (0.54) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4244608 0.91 TDP1 (0.59) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4242220 0.91 TDP1 (0.56) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4244977 0.90 TDP1 (0.61) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4245820 0.88 TDP1 (0.47) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4247571 0.85 PDE4A (0.55) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4242863 0.85 CYP2B6 (0.49) MAPK14CYP2B6ALDH1A1
SCHEMBL2289853 0.85 KDM4E (0.47) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL4244077 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL4245813 0.82 TDP1 (0.64) MAPK14TDP1F10LRRK2HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA MAPK14 2739/4885PDE4A 3091/4885PDE4B 2831/4885

“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.