SCHEMBL4591034

SCHEMBL4591034

Fc1ccccc1-c1ccc(CCCBr)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 2/20 0.51
GRM2 Q14416 2/20 0.49
NPC1 O15118 6/20 0.44
IL4I1 Q96RQ9 1/20 0.42
RAB9A P51151 4/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL4590809 0.85 CYP11B1 (0.54) CYP11B1CYP11B2GRM2NPC1IL4I1
SCHEMBL22454021 0.81 CYP11B1 (0.53) CYP11B1CYP11B2GRM2NPC1IL4I1
SCHEMBL27726713 0.81 CYP11B1 (0.53) CYP11B1CYP11B2GRM2NPC1IL4I1
SCHEMBL15060601 0.78 CYP11B1 (0.59) CYP11B1CYP11B2GRM2NPC1IL4I1
SCHEMBL3164361 0.77 CYP11B1 (0.52) CYP11B1CYP11B2GRM2IL4I1
SCHEMBL4590559 0.76 CYP11B1 (0.46) CYP11B1CYP11B2GRM2NPC1IL4I1
SCHEMBL4590661 0.76 CYP11B1 (0.46) CYP11B1CYP11B2GRM2NPC1IL4I1
SCHEMBL3179376 0.75 CYP11B1 (0.51) CYP11B1CYP11B2GRM2NPC1IL4I1
SCHEMBL4590025 0.75 CYP11B1 (0.48) CYP11B1CYP11B2GRM2NPC1IL4I1
Hydrochloric Acid SCHEMBL3184100 0.74 CYP11B1 (0.50) CYP11B1CYP11B2GRM2NPC1IL4I1

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 30/4885CYP11B2 51/4885GRM2 2000/4885

“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.