SCHEMBL3874073

SCHEMBL3874073

COC(=O)C=Cc1ccc(-c2ccc(F)cc2F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
BACE1 P56817 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 1/20 0.46
ALPL P05186 2/20 0.45
FDPS P14324 1/20 0.44
TTR P02766 1/20 0.44
APP P05067 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.41
HDAC1 Q13547 2/20 0.41

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
SCHEMBL3874068 1.00 GSK3B (0.46) GSK3BBACE1SMN1; SMN2KDM4EKMT2A
SCHEMBL3872568 0.82 POLB (0.48) SMN1; SMN2KDM4EKMT2AFDPSTTR
SCHEMBL3871575 0.82 POLB (0.48) SMN1; SMN2KDM4EKMT2AFDPSTTR
SCHEMBL19025744 0.81 CA12 (0.59) GSK3BSMN1; SMN2KDM4EKMT2AFDPS
SCHEMBL19039511 0.81 CA12 (0.59) GSK3BSMN1; SMN2KDM4EKMT2AFDPS
SCHEMBL9607471 0.76 ALDH1A1 (0.45) KMT2ADHODHALPLPOLBHDAC1
SCHEMBL1564066 0.73 CA12 (0.70) SMN1; SMN2KDM4EKMT2ATTRAPP
SCHEMBL1972599 0.73 CA12 (0.70) SMN1; SMN2KDM4EKMT2ATTRAPP
SCHEMBL2473707 0.73 CA12 (0.70) SMN1; SMN2KDM4EKMT2ATTRAPP
SCHEMBL3174142 0.73 CA12 (0.50) DHODHFDPSTTRCA12CA1

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 GSK3B 1838/4885BACE1 1821/4885SMN1; SMN2 4613/4885

“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.