SCHEMBL3288672

SCHEMBL3288672

COc1cc(C2(OC)c3ccccc3C(=O)N2CCc2ccccn2)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.51
MDM2 Q00987 8/20 0.51
ACHE P22303 1/20 0.44
RAF1 P04049 6/20 0.43
MAP2K1 Q02750 6/20 0.43
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 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
SCHEMBL13389777 0.89 ACHE (0.46) TP53MDM2ACHERAF1MAP2K1
SCHEMBL3281023 0.88 MDM2 (0.48) TP53MDM2ACHERAF1MAP2K1
SCHEMBL13407483 0.76 MDM2 (0.51) TP53MDM2ACHERAF1KCNH2
SCHEMBL3280331 0.72 TP53 (0.53) TP53ACHERAF1MAP2K1SCN5A
SCHEMBL4912856 0.68 MDM2 (1.00) TP53MDM2KCNH2SCN5ASCN9A
SCHEMBL4912863 0.68 MDM2 (1.00) TP53MDM2KCNH2SCN5ASCN9A
SCHEMBL4909215 0.67 MDM2 (0.89) TP53MDM2
SCHEMBL4909208 0.67 MDM2 (0.89) TP53MDM2
SCHEMBL4907057 0.66 MDM2 (1.00) TP53MDM2
SCHEMBL4907054 0.66 MDM2 (1.00) TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705021-B2 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer FOX CHASE CANCER CENTER (US) 2010-04-27 US claimed
US-20060264473-A1 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer THE INSTITUTE FOR CANCER RESEARCH 2006-11-23 US claimed
US-7705021-B2 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer FOX CHASE CANCER CENTER (US) 2010-04-27 US disclosed
US-20060264473-A1 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer THE INSTITUTE FOR CANCER RESEARCH 2006-11-23 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 (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-20060264473-A1 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer CYP27A1, CYP27B1, HSD17B11 TP53 25/4885MDM2 978/4885ACHE 2379/4885

“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.