SCHEMBL5114059

SCHEMBL5114059

CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2sccc2n(CC(=O)c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13294998 0.89 KDM4E (0.44) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL5107496 0.87 MEN1 (0.40) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL5113898 0.87 ALDH1A1 (0.46) TSHRGAAMEN1KMT2AALDH1A1
SCHEMBL14195135 0.86 ALDH1A1 (0.43) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL4848292 0.85 MAPT (0.40) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL14195164 0.85 MAPT (0.40) TSHRMEN1KMT2AALDH1A1
SCHEMBL5107595 0.83 FEN1 (0.49) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL4858255 0.83 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5113303 0.82 ALDH1A1 (0.43) TSHRL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL5139494 0.81 ALDH1A1 (0.51) GAAALDH1A1HTTSMN1; SMN2

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 TSHR 1114/4885NPC1 1125/4885RAB9A 1591/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 TSHR 1114/4885NPC1 1125/4885RAB9A 1591/4885

“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.