SCHEMBL4252805

SCHEMBL4252805

C#CCOc1ccc(C(=O)NCCC2CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
HTR2A P28223 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 2/20 0.39
SCD O00767 1/20 0.39
AR P10275 1/20 0.39
LDLR P01130 1/20 0.39
MAPK14 Q16539 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL4241637 0.96 LDLR (0.42) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4247585 0.96 LDLR (0.44) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4247076 0.88 AR (0.49) ARMAPK14
SCHEMBL4247571 0.85 PDE4A (0.55) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4248948 0.85 ITGB3 (0.37) ITGB3ITGA2BCHRM4MAPK14
SCHEMBL4249693 0.84 AR (0.46) MEN1KMT2AARMAPK14NAMPT
SCHEMBL4248441 0.84 HDAC6 (0.47) MEN1KMT2AARMAPK14NAMPT
SCHEMBL4253070 0.83 HDAC6 (0.49) MEN1KMT2AARNAMPT
SCHEMBL4246115 0.81 RAB9A (0.49)
SCHEMBL4248419 0.81 ROCK2 (0.53) ROCK2PDE4APDE4BPDE4CPDE4D

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 4 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-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 ROCK2 4153/4885PDE4A 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.