SCHEMBL13297958

SCHEMBL13297958

CN(C)CCN1C(=O)c2cccc3cc4cccc(NC(=O)Oc5ccccc5)c4c(c23)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 1/20 0.50
▸ HEXB P07686 1/20 0.50
▸ FTO Q9C0B1 3/20 0.49
▸ CYP2D6 P10635 2/20 0.48
▸ PABPC1 P11940 1/20 0.46
▸ POLB P06746 3/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 3/20 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
SCHEMBL13297969 0.92 HEXA (0.47) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297944 0.89 HEXA (0.55) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3293589 0.87 HEXA (0.57) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297957 0.87 HEXA (0.52) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3294784 0.86 FTO (0.54) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297972 0.85 HEXA (0.57) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297975 0.84 HEXA (0.49) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297973 0.84 HEXA (0.48) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297981 0.84 HEXA (0.48) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3299473 0.83 FTO (0.51) HEXAHEXBFTOCYP2D6PABPC1

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-7741337-B2 Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom UNIBIOSCREEN S.A. (BE) 2010-06-22 — — US disclosed
US-7741337-B2 Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom UNIBIOSCREEN S.A. (BE) 2010-06-22 — — US disclosed
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom UNIBIOSCREEN S.A. (BE) 2008-11-27 — — US disclosed
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom UNIBIOSCREEN S.A. (BE) 2008-11-27 — — US disclosed
EP-1787985-A1 Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom Unibioscreen S.A. (BE) 2007-05-23 — — EP disclosed
WO-2007054292-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-18 — — 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-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom AADAC, NOTUM, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HEXA 1944/4885HEXB 2802/4885FTO 595/4885

“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.

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