SCHEMBL8947726

SCHEMBL8947726

O=C1c2ccccc2C(=O)c2c(NCCO)ccc(NCO)c21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.74
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
POLB P06746 5/20 0.62
BLM P54132 4/20 0.62
NSD2 O96028 3/20 0.62
RXFP1 Q9HBX9 1/20 0.62
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MTOR P42345 2/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
FGB P02675 1/20 0.54
MMP14 P50281 1/20 0.54
MAPK1 P28482 7/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 7/20 0.52
LMNA P02545 6/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RECQL P46063 4/20 0.52

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
SCHEMBL29357976 0.95 TOP2B (0.81) TOP2BMEN1KMT2APOLBBLM
SCHEMBL1426702 0.95 TOP2B (0.81) TOP2BMEN1KMT2APOLBBLM
SCHEMBL455300 0.89 TOP2B (0.72) TOP2BMEN1KMT2APOLBBLM
SCHEMBL29374910 0.87 TOP2B (0.70) TOP2BMEN1KMT2APOLBBLM
SCHEMBL8428873 0.87 TOP2B (0.70) TOP2BMEN1KMT2APOLBBLM
SCHEMBL29670831 0.87 TOP2B (0.70) TOP2BMEN1KMT2APOLBBLM
SCHEMBL23404 0.87 TOP2B (0.70) TOP2BMEN1KMT2APOLBBLM
SCHEMBL11576965 0.87 TOP2B (0.70) TOP2BMEN1KMT2APOLBBLM
SCHEMBL595621 0.86 TOP2B (0.68) TOP2BMEN1KMT2APOLBBLM
Ametantrone SCHEMBL3344151 0.85 TOP2B (1.00) TOP2BMEN1KMT2APOLBBLM

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-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 US disclosed
US-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 US disclosed
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-06-30 US disclosed
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-06-30 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-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TOP2B 293/4885MEN1 3187/4885KMT2A 1622/4885

“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.