SCHEMBL4590904

SCHEMBL4590904

OCCCc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 9/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
MAPT P10636 2/20 0.52
STAT3 P40763 1/20 0.52
ATM Q13315 1/20 0.52
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
AURKA O14965 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49

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
SCHEMBL2651937 0.83 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL2216313 0.83 FYN (0.56) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL4796772 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL14268230 0.81 CYP11B1 (0.52) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL15783685 0.81 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8511970 0.80 CASP3 (0.74) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL27705919 0.80 CYP11B1 (0.51) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL2651325 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8452469 0.79 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL2653790 0.78 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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 RAB9A 3899/4885NPC1 2812/4885SMN1; 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.