SCHEMBL3872568

SCHEMBL3872568

COC(=O)C=Cc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
NPC1 O15118 5/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TYR P14679 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MITF O75030 1/20 0.47
KLF5 Q13887 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 4/20 0.46
LMNA P02545 2/20 0.46
PTPN1 P18031 2/20 0.46

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
SCHEMBL3871575 1.00 POLB (0.48) POLBNPC1RXFP1CA12CA1
SCHEMBL3594186 0.87 CA12 (0.52) POLBNPC1RXFP1CA12CA1
SCHEMBL3594189 0.87 CA12 (0.52) POLBNPC1RXFP1CA12CA1
SCHEMBL19039511 0.85 CA12 (0.59) CA12CA1CA2TYRCA7
SCHEMBL19025744 0.85 CA12 (0.59) CA12CA1CA2TYRCA7
SCHEMBL3611598 0.83 KDM4E (0.61) NPC1RXFP1CA12CA1CA2
SCHEMBL3611594 0.83 KDM4E (0.61) NPC1RXFP1CA12CA1CA2
SCHEMBL1842884 0.82 CA12 (0.64) POLBCA12CA1CA2TYR
SCHEMBL3874073 0.82 GSK3B (0.46) POLBNPC1CA12CA1CA2
SCHEMBL3874068 0.82 GSK3B (0.46) POLBNPC1CA12CA1CA2

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 8 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
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 POLB 2670/4885NPC1 2910/4885RXFP1 708/4885

“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.