SCHEMBL5113898

SCHEMBL5113898

CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2sccc2n(CC(=O)c2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYBB P04839 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13294992 0.87 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL5114059 0.87 TSHR (0.43) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL5107642 0.85 FEN1 (0.47) ALDH1A1CYP1A2CYP2C19CYBBNOX4
SCHEMBL14195139 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19CYBBNOX4
SCHEMBL14195167 0.83 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL14195154 0.83 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19CYBBNOX4
SCHEMBL5139404 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19CYBBNOX4
SCHEMBL4854020 0.79 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL5104425 0.77 POLB (0.54) ALDH1A1CYP1A2CYP2C19CYBBNOX4
SCHEMBL13294523 0.77 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS 2006-10-12 US 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 (2 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-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS MIF, MMP12, MSR1 ALDH1A1 3434/4885CYP1A2 3600/4885CYP2C19 2933/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 ALDH1A1 3434/4885CYP1A2 3600/4885CYP2C19 2933/4885

“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.