SCHEMBL4591771

SCHEMBL4591771

NC(=O)COc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.47
NPC1 O15118 2/20 0.44
ACACA Q13085 1/20 0.43
RAB9A P51151 1/20 0.43
CYP11B1 P15538 4/20 0.43
KCNN4 O15554 1/20 0.41
PARP1 P09874 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
KCNH2 Q12809 1/20 0.41
SCN3A Q9NY46 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.40
CYP11B2 P19099 2/20 0.40
SYK P43405 2/20 0.39
MAOB P27338 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL4590827 0.84 NPC1 (0.47) PDK2NPC1RAB9ACYP11B1KCNN4
SCHEMBL27091799 0.83 NPC1 (0.46) NPC1RAB9ACYP11B1PARP1ALOX5AP
Trifluoroacetic Acid SCHEMBL3182204 0.82 ALOX5AP (0.43) NPC1ACACARAB9ACYP11B1ALOX5AP
SCHEMBL3169981 0.81 PTPN1 (0.47) PDK2NPC1RAB9ACYP11B1ALOX5AP
SCHEMBL3182212 0.80 NPC1 (0.39) PDK2NPC1RAB9ACYP11B1L3MBTL1
SCHEMBL4590868 0.80 NPC1 (0.49) PDK2NPC1RAB9ACYP11B1ALOX5AP
SCHEMBL8451960 0.79 ALDH1A1 (0.53) PDK2NPC1RAB9A
SCHEMBL4590052 0.78 NPC1 (0.47) PDK2NPC1RAB9ACYP11B1ALOX5AP
SCHEMBL20653076 0.78 MEN1 (0.48) PDK2NPC1ACACARAB9AL3MBTL1
SCHEMBL8460633 0.78 NPC1 (0.52) NPC1RAB9AL3MBTL1

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 6 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
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 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 PDK2 2530/4885NPC1 2812/4885ACACA 928/4885

“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.