SCHEMBL3872075

SCHEMBL3872075

CC(C)(C)OC(=O)NC1CC1c1ccc(Br)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.59
MAOB P27338 3/20 0.53
MAOA P21397 2/20 0.53
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
F2R P25116 1/20 0.36
PDE4B Q07343 2/20 0.36
SYK P43405 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
EPHX2 P34913 1/20 0.35
JAK1 P23458 2/20 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
SCHEMBL14885516 1.00 KDM1A (0.59) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL18947795 1.00 KDM1A (0.59) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL28682928 1.00 KDM1A (0.59) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL16021081 0.88 KDM1A (0.67) KDM1AMAOBMAOACKS1BSKP1
SCHEMBL15094433 0.83 KDM1A (0.70) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL12242261 0.83 KDM1A (0.70) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL15149989 0.83 KDM1A (0.70) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL2212928 0.83 KDM1A (0.70) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL2564604 0.80 KDM1A (0.70) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL17287408 0.80 KDM1A (0.70) KDM1AMAOBMAOANFKB1NFKB2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958474-A (hetero) arylcyclopropylamine compounds as LSD1 inhibitors ORYZON GENOMICS SA 2014-07-30 CN disclosed
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-103124724-A Arylcyclopropylamine-based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS SA 2013-05-29 CN 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 KDM1A 1391/4885MAOB 220/4885MAOA 238/4885

“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.