SCHEMBL5114645

SCHEMBL5114645

CCOC(=O)c1c(O)c2cc(CC)sc2n(Cc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.47
HTT P42858 1/20 0.47
TDP2 O95551 1/20 0.47
NSD2 O96028 1/20 0.47
PLCG1 P19174 1/20 0.47
PAX8 Q06710 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX5 P09917 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 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
SCHEMBL27703639 0.88 ERCC5 (0.47) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4155322 0.82 KDM4E (0.58) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL4754692 0.80 ALDH1A1 (0.65) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL1522936 0.79 KDM4E (0.81) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL5104478 0.79 LMNA (0.48) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL5114638 0.78 KDM4E (0.50) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL5113359 0.77 FEN1 (0.56) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL5529505 0.77 ALDH1A1 (0.81) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL15966795 0.77 ALDH1A1 (0.67) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL5331127 0.76 KDM4E (0.58) KDM4EALDH1A1LMNAMAPTGAA

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 3 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-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 KDM4E 1648/4885ALDH1A1 3434/4885LMNA 2146/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 KDM4E 1648/4885ALDH1A1 3434/4885LMNA 2146/4885

“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.