SCHEMBL4590842

SCHEMBL4590842

N#Cc1ccc(-c2ccc(OCCN3C(=O)CCC3=O)cn2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 3/20 0.34
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
INPPL1 O15357 1/20 0.32
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PLA2G7 Q13093 2/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL4590982 0.79 KDM4E (0.50) KDM1AALDH1A1HRH3KDM4EHPGD
SCHEMBL4590053 0.76 MET (0.49) KDM1AALDH1A1CYP4F2CYP4A11KDM4E
SCHEMBL4591055 0.75 ALDH1A1 (0.42) ALDH1A1HRH3CYP4F2CYP4A11HPGD
SCHEMBL4591103 0.73 MCHR1 (0.37) ALDH1A1HRH3CYP4F2CYP4A11HPGD
SCHEMBL4590528 0.72 NPC1 (0.46) L3MBTL1ESR1ESR2PLA2G7
SCHEMBL4591441 0.72 NPC1 (0.40) KDM1AALDH1A1CYP4F2CYP4A11ESR1
SCHEMBL4590769 0.71 LMNA (0.46) ALDH1A1HRH3KCNH2KDM4EHPGD
SCHEMBL4591482 0.71 KDM1A (0.41) KDM1AALDH1A1CYP4F2CYP4A11HPGD
SCHEMBL4590135 0.71 ESR1 (0.39) CYP4F2CYP4A11ESR1ESR2PLA2G7
SCHEMBL4590888 0.71 CYP11B1 (0.46) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP claimed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US claimed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP claimed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO claimed
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 KDM1A 688/4885ALDH1A1 3585/4885HRH3 123/4885

“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.