SCHEMBL20333922

SCHEMBL20333922

Nc1ccc(N)c2c1C(=O)c1cccc(NCCCNCCO)c1C2=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.82
▸ FGB P02675 1/20 0.82
▸ MMP14 P50281 1/20 0.82
▸ TOP2B Q02880 1/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ BLM P54132 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ RECQL P46063 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ EGFR P00533 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ RAD52 P43351 1/20 0.54
▸ NQO1 P15559 2/20 0.54

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
SCHEMBL23787848 0.92 NSD2 (0.70) NSD2FGBMMP14TOP2BMEN1
SCHEMBL13856921 0.91 NSD2 (1.00) NSD2FGBMMP14TOP2BMEN1
SCHEMBL10581062 0.90 NSD2 (0.63) NSD2FGBMMP14TOP2BMEN1
SCHEMBL23787760 0.84 NSD2 (0.56) NSD2FGBMMP14TOP2BMEN1
SCHEMBL7829735 0.83 NSD2 (0.55) NSD2FGBMMP14TOP2BMEN1
SCHEMBL20333884 0.82 FGB (0.53) NSD2FGBMMP14MEN1KMT2A
SCHEMBL20333882 0.81 NSD2 (0.54) NSD2FGBMMP14MEN1KMT2A
SCHEMBL18984696 0.81 SMN1; SMN2 (0.55) NSD2FGBMMP14TOP2BMEN1
SCHEMBL20334294 0.80 NSD2 (0.52) NSD2FGBMMP14TOP2BMEN1
SCHEMBL15277979 0.80 TOP2B (0.83) NSD2FGBMMP14TOP2BMEN1

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-20230240954-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2023-08-03 — — US disclosed
US-20230240954-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2023-08-03 — — US disclosed
EP-3558235-B1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION OREAL (FR) 2021-09-08 — — EP disclosed
WO-2018115337-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2018-06-28 — — 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-20230240954-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION KRT18, CUTA, KLK5 NSD2 2000/4885FGB 247/4885MMP14 2125/4885

“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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