SCHEMBL6080522

SCHEMBL6080522

CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc(O)ccc1O.COc1cc(N(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ THRB P10828 1/20 0.68
▸ APEX1 P27695 1/20 0.68
▸ RECQL P46063 1/20 0.68
▸ BLM P54132 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ CDC25C P30307 5/20 0.63
▸ KCNH2 Q12809 4/20 0.43
▸ DRD1 P21728 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL4247040 0.93 MEN1 (0.75) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL1917644 0.82 MEN1 (1.00) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL29369543 0.82 MEN1 (1.00) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL1917276 0.81 CDC25C (0.78) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL1916880 0.79 CDC25C (1.00) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL29362116 0.78 CDC25C (1.00) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL3158326 0.69 CDC25C (0.65) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL6434785 0.69 CDC25C (0.61) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL1917318 0.69 CDC25C (1.00) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL1917474 0.67 CDC25C (1.00) MEN1KMT2ATHRBAPEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 — — US claimed
US-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 — — 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-20060154933-A1 Inhibitors of Cdc25 phosphatases CDC25A, CDC25C, CDC25B MEN1 1858/4885KMT2A 1728/4885THRB 2738/4885

“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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