SCHEMBL3875669

SCHEMBL3875669

O=CC=Cc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
ALOX5 P09917 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 1/20 0.51
AR P10275 5/20 0.46
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
NPY5R Q15761 1/20 0.42
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3875666 1.00 ALDH1A1 (0.51) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL7464979 0.84 ALDH1A1 (0.49) ALDH1A1ALOX5RAB9AKDM4EAR
SCHEMBL3615585 0.83 ALDH1A1 (0.58) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL28822927 0.81 ALDH1A1 (0.67) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL3612022 0.79 ALDH1A1 (0.49) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL3612019 0.79 ALDH1A1 (0.49) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL3650974 0.78 RAB9A (0.51) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL3650972 0.78 RAB9A (0.51) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL3872177 0.77 ALDH1A1 (0.50) ALDH1A1ALOX5RAB9AKDM4EHPGD
SCHEMBL3875590 0.77 ALDH1A1 (0.50) ALDH1A1ALOX5RAB9AKDM4EHPGD

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-8642620-B2 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals SANOFI (FR) 2014-02-04 US disclosed
CN-101213184-B Heteroaryl-substituted amides comprising an unsaturated or cyclic linking group and their use as medicaments SANOFI AVENTIS 2011-05-25 CN disclosed
EP-1904476-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2009-02-25 EP disclosed
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US disclosed
CN-101213184-A Heteroaryl-substituted amides comprising an unsaturated or cyclic linking group and their use as medicaments SANOFI AVENTIS (FR) 2008-07-02 CN disclosed
EP-1904476-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
EP-1741708-A1 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000248-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC 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-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 ALDH1A1 3143/4885ALOX5 13/4885RAB9A 4311/4885

“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.