SCHEMBL4590629

SCHEMBL4590629

CS(=O)(=O)Nc1ccc(-c2ccc(OCCN3C(=O)CCC3=O)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
JAK2 O60674 3/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
ACHE P22303 1/20 0.38
AGTR1 P30556 1/20 0.38
DRD3 P35462 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 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
SCHEMBL4590039 0.88 KDM1A (0.53) NPC1RAB9AJAK2MAPTALDH1A1
SCHEMBL4590769 0.82 LMNA (0.46) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL4590528 0.80 NPC1 (0.46) LTA4HNPC1RAB9AMAPTKMT2A
SCHEMBL4591302 0.80 KDM4E (0.44) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL4591396 0.80 APP (0.41) MAPTALDH1A1KCNH2
SCHEMBL4590990 0.77 RUNX1 (0.42) NPC1RAB9AMAPTALDH1A1
SCHEMBL4590982 0.77 KDM4E (0.50) ALDH1A1HPGDKDM1A
SCHEMBL4590824 0.77 KDM1A (0.43) LTA4HKCNH2KIF11KDM1A
SCHEMBL4590695 0.77 CYP11B1 (0.43) RAB9A
SCHEMBL4590135 0.77 ESR1 (0.39) NPC1RAB9AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LTA4H 443/4885NPC1 2812/4885RAB9A 3899/4885

“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.