SCHEMBL3872037

SCHEMBL3872037

CC(C)(C)OC(=O)NC1CC1c1ccc(-c2ccc(F)cc2F)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.49
MAOB P27338 5/20 0.45
MAOA P21397 4/20 0.45
DHODH Q02127 1/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
F2R P25116 1/20 0.39
ALPL P05186 1/20 0.36
MAP3K5 Q99683 2/20 0.36
KDM4D Q6B0I6 1/20 0.36
ACKR3 P25106 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
SCHEMBL3873988 0.79 KDM1A (0.41) KDM1AMAOBMAOADHODHALOX5AP
SCHEMBL16355420 0.79 KDM1A (0.70) KDM1AMAOBMAOA
SCHEMBL18016108 0.79 KDM1A (0.70) KDM1AMAOBMAOA
SCHEMBL15200609 0.79 KDM1A (0.70) KDM1AMAOBMAOA
SCHEMBL17984453 0.79 KDM1A (0.70) KDM1AMAOBMAOA
SCHEMBL5508735 0.79 KDM1A (0.70) KDM1AMAOBMAOA
SCHEMBL3871554 0.79 KDM1A (0.40) KDM1AMAOBMAOADHODHALPL
SCHEMBL18947795 0.78 KDM1A (0.59) KDM1AMAOBMAOAF2R
SCHEMBL28682928 0.78 KDM1A (0.59) KDM1AMAOBMAOAF2R
SCHEMBL3872075 0.78 KDM1A (0.59) KDM1AMAOBMAOAF2R

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 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.