SCHEMBL4590967

SCHEMBL4590967

BrCCCc1ccc(Br)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
RAB9A P51151 5/20 0.41
NFKB1 P19838 4/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
MAPK1 P28482 2/20 0.41
GRM2 Q14416 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL20576042 0.94 CYP11B1 (0.41) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL2533763 0.87 CYP11B1 (0.44) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL10484015 0.83 CYP11B1 (0.42) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL10483902 0.82 CYP11B1 (0.41) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL17242029 0.82 CYP11B1 (0.41) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL1134968 0.82 CYP11B1 (0.41) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL1873497 0.82 RAB9A (0.60) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL18354283 0.82 CYP11B1 (0.41) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL13430063 0.82 CYP11B1 (0.41) CYP11B1RAB9ANFKB1NPC1SMN1; SMN2
SCHEMBL26394418 0.80 RAB9A (0.54) RAB9ANFKB1NPC1SMN1; SMN2L3MBTL1

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 8 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
CN-101208328-B Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS 2012-02-29 CN 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
CN-101208328-A Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-06-25 CN 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 CYP11B1 30/4885RAB9A 3899/4885NFKB1 711/4885

“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.