SCHEMBL4590817

SCHEMBL4590817

O=C(NCCOc1ccc(-c2ccccc2F)nc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
F10 P00742 1/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL4590073 0.86 MTNR1A (0.55) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL12020957 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11433155 0.78 NPC1 (0.93) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4590052 0.77 NPC1 (0.47) NPC1RAB9ACASP3SENP7ALOX5AP
SCHEMBL24272432 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL24272420 0.76 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4590868 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL1578277 0.75 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDKMT2A
Trifluoroacetic Acid SCHEMBL3182204 0.75 ALOX5AP (0.43) NPC1RAB9AKMT2AMEN1ALOX5AP
SCHEMBL4590827 0.74 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 12 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
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
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
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US 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
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
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 NPC1 2812/4885RAB9A 3899/4885SMN1; SMN2 4609/4885

“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.