SCHEMBL3872607

SCHEMBL3872607

O=C(O)C1CC1c1ccc(-c2ccc(F)cc2F)nc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
CYP4F2 P78329 5/20 0.47
CYP4A11 Q02928 5/20 0.47
KDM1A O60341 6/20 0.45
DHODH Q02127 1/20 0.44
KMO O15229 2/20 0.44
FFAR1 O14842 5/20 0.42

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
SCHEMBL3871781 0.86 KDM1A (0.45) ADORA2AFFAR4CYP4F2CYP4A11KDM1A
SCHEMBL3605976 0.82 KDM1A (0.49) FFAR4CYP4F2CYP4A11KDM1AFFAR1
SCHEMBL3600206 0.82 KDM1A (0.49) FFAR4CYP4F2CYP4A11KDM1AFFAR1
SCHEMBL3600203 0.82 KDM1A (0.49) FFAR4CYP4F2CYP4A11KDM1AFFAR1
Trifluoroacetic Acid SCHEMBL3871552 0.81 KDM1A (0.57) KDM1A
Hydrochloric Acid SCHEMBL3605051 0.81 KDM1A (0.48) FFAR4CYP4F2CYP4A11KDM1AFFAR1
Hydrochloric Acid SCHEMBL3605053 0.81 KDM1A (0.48) FFAR4CYP4F2CYP4A11KDM1AFFAR1
SCHEMBL527379 0.80 KDM1A (0.64) KDM1A
SCHEMBL529221 0.80 KDM1A (0.64) KDM1A
SCHEMBL529220 0.80 KDM1A (0.64) KDM1A

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 ADORA2A 465/4885FFAR4 713/4885CYP4F2 73/4885

“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.