SCHEMBL3872795

SCHEMBL3872795

CCOC(=O)CNC(=O)NC1CC1c1ccc(Br)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
PPID Q08752 4/20 0.40
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40
PPIG Q13427 1/20 0.40
KDM1A O60341 4/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NLRP3 Q96P20 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FPR2 P25090 1/20 0.35

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
SCHEMBL3873988 0.81 KDM1A (0.41) EPHX2PPIDPPIBPPIAPPIG
SCHEMBL1290491 0.77 SMN1; SMN2 (0.43) EPHX2KDM1AMAOBMAOA
SCHEMBL1290488 0.77 SMN1; SMN2 (0.43) EPHX2KDM1AMAOBMAOA
SCHEMBL14885516 0.75 KDM1A (0.59) EPHX2KDM1AMAOBMAOA
SCHEMBL3872075 0.75 KDM1A (0.59) EPHX2KDM1AMAOBMAOA
SCHEMBL18947795 0.75 KDM1A (0.59) EPHX2KDM1AMAOBMAOA
SCHEMBL28682928 0.75 KDM1A (0.59) EPHX2KDM1AMAOBMAOA
SCHEMBL27707126 0.73 SMN1; SMN2 (0.39) KDM1AMAOBMAOA
SCHEMBL527977 0.73 MAPT (0.39) HTTMAPTTSHR
SCHEMBL527899 0.73 MAPT (0.39) HTTMAPTTSHR

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-8642620-B2 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals SANOFI (FR) 2014-02-04 US 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
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 EPHX2 66/4885PPID 1010/4885PPIB 663/4885

“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.