SCHEMBL4590827

SCHEMBL4590827

COC(=O)COc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SYK P43405 3/20 0.46
CYP11B1 P15538 3/20 0.46
PDK2 Q15119 1/20 0.46
TSHR P16473 2/20 0.44
KCNN4 O15554 1/20 0.43
DHODH Q02127 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP11B2 P19099 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL3169981 0.86 PTPN1 (0.47) NPC1RAB9ACYP11B1PDK2DHODH
SCHEMBL4591771 0.84 PDK2 (0.47) NPC1RAB9ASYKCYP11B1PDK2
SCHEMBL3182212 0.83 NPC1 (0.39) NPC1RAB9ACYP11B1PDK2DHODH
Trifluoroacetic Acid SCHEMBL3182204 0.80 ALOX5AP (0.43) NPC1RAB9ACYP11B1DHODHMEN1
SCHEMBL4590073 0.79 MTNR1A (0.55) NPC1RAB9ACYP11B1PDK2TSHR
SCHEMBL8460633 0.78 NPC1 (0.52) NPC1RAB9ATSHRSMN1; SMN2L3MBTL1
SCHEMBL8451960 0.77 ALDH1A1 (0.53) NPC1RAB9APDK2LMNAMEN1
SCHEMBL4590052 0.76 NPC1 (0.47) NPC1RAB9ACYP11B1PDK2LMNA
SCHEMBL8452054 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL29596848 0.75 MAPK1 (0.51) NPC1RAB9ACYP11B1TSHRDHODH

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 NPC1 2812/4885RAB9A 3899/4885SYK 449/4885

“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.