SCHEMBL4590782

SCHEMBL4590782

O=C1CSCCN1CCCc1ccc(Br)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
CYP11B1 P15538 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4590103 0.81 NPC1 (0.40) CYP11B1KDM4EALDH1A1MAPTNFKB1
SCHEMBL4590662 0.79 RAB9A (0.39) CYP11B1MAPTNFKB1L3MBTL1SLC6A4
SCHEMBL4590656 0.78 IL4I1 (0.41) CYP11B1NFKB1
SCHEMBL4590862 0.78 OPRK1 (0.33) CYP1A2ALOX15NFKB1
SCHEMBL2535861 0.72 PARP1 (0.41) PARP1MEN1KMT2ATDP1L3MBTL1
SCHEMBL24909653 0.66 INMT (0.34) L3MBTL1
SCHEMBL5254492 0.66 KDM4E (0.62) CYP11B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL20037894 0.65 ALDH1A1 (0.43) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL20037444 0.65 RAB9A (0.44) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL18291622 0.65 RAB9A (0.41) KDM4EALDH1A1MEN1TSHRKMT2A

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 PARP1 2192/4885CYP11B1 30/4885KDM4E 806/4885

“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.