SCHEMBL17207292

SCHEMBL17207292

[2H]C([2H])([2H])[N+](C)(CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCC[N+]([O-])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1C2=O)C([2H])([2H])[2H]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 3/20 0.58
▸ CYP19A1 P11511 1/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ BLM P54132 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ NSD2 O96028 2/20 0.47

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
Banoxantrone SCHEMBL17207287 0.94 NQO1 (0.61) NQO1CYP19A1MEN1KMT2ABLM
SCHEMBL17207286 0.94 NQO1 (0.61) NQO1CYP19A1MEN1KMT2ABLM
Banoxantrone SCHEMBL29378863 0.87 NQO1 (0.72) NQO1CYP19A1MEN1KMT2ABLM
Banoxantrone SCHEMBL3676563 0.87 NQO1 (0.72) NQO1CYP19A1MEN1KMT2ABLM
Banoxantrone SCHEMBL30324147 0.86 NQO1 (0.70) NQO1CYP19A1MEN1KMT2ABLM
SCHEMBL14876631 0.84 CYP19A1 (0.62) NQO1CYP19A1MEN1KMT2ABLM
SCHEMBL13331702 0.82 NQO1 (0.66) NQO1CYP19A1MEN1KMT2ABLM
SCHEMBL14369957 0.80 NQO1 (0.64) NQO1CYP19A1MEN1KMT2ABLM
SCHEMBL14369959 0.79 NQO1 (0.79) NQO1CYP19A1MEN1KMT2ABLM
SCHEMBL9364140 0.78 MEN1 (0.76) NQO1CYP19A1MEN1KMT2ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307441-A1 NEW COMPOUNDS AND USES THEREOF BIOSTATUS LIMITED (GB) 2015-10-29 — — 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-20150307441-A1 NEW COMPOUNDS AND USES THEREOF HIF1AN, HIF1A, EGLN2 NQO1 27/4885CYP19A1 430/4885MEN1 2915/4885

“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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