SCHEMBL595621

SCHEMBL595621

Nc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2B Q02880 1/20 0.68
▸ ADORA2A P29274 4/20 0.58
▸ CSNK1A1 P48729 2/20 0.58
▸ CSNK1D P48730 2/20 0.58
▸ CSNK1G1 Q9HCP0 2/20 0.58
▸ PIM1 P11309 2/20 0.58
▸ MAOA P21397 2/20 0.58
▸ FGR P09769 1/20 0.58
▸ DYRK1A Q13627 1/20 0.58
▸ HIPK2 Q9H2X6 1/20 0.58
▸ MEN1 O00255 8/20 0.57
▸ KMT2A Q03164 8/20 0.57
▸ POLB P06746 6/20 0.57
▸ BLM P54132 5/20 0.57
▸ NSD2 O96028 3/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ MMP14 P50281 2/20 0.56
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ MTOR P42345 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
SCHEMBL29357976 0.91 TOP2B (0.81) TOP2BPIM1MEN1KMT2APOLB
SCHEMBL1426702 0.91 TOP2B (0.81) TOP2BPIM1MEN1KMT2APOLB
SCHEMBL10581062 0.87 NSD2 (0.63) TOP2BADORA2ACSNK1A1CSNK1DCSNK1G1
SCHEMBL8947726 0.86 TOP2B (0.74) TOP2BPIM1MEN1KMT2APOLB
SCHEMBL455300 0.84 TOP2B (0.72) TOP2BPIM1MEN1KMT2APOLB
Methylamine SCHEMBL10780560 0.84 ADORA2A (0.56) TOP2BADORA2ACSNK1A1CSNK1DCSNK1G1
SCHEMBL11576965 0.83 TOP2B (0.70) TOP2BPIM1MEN1KMT2APOLB
SCHEMBL23404 0.83 TOP2B (0.70) TOP2BPIM1MEN1KMT2APOLB
SCHEMBL8428873 0.83 TOP2B (0.70) TOP2BCSNK1A1CSNK1DCSNK1G1PIM1
SCHEMBL29670831 0.83 TOP2B (0.70) TOP2BPIM1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114979-B2 Di-alpha amino anthraquinone compositions INTEGRATED DNA TECHNOLOGIES, INC. (US) 2012-02-14 — — US disclosed
US-20110060150-A1 METHOD OF DETECTING FLUORESCENCE INTEGRATED DNA TECHNOLOGIES, INC. (US) 2011-03-10 — — US disclosed
EP-2281798-A1 Anthraquinone quencher dyes, their methods of preparation and use INTEGRATED DNA TECHNOLOGIES, INC. (US) 2011-02-09 — — EP disclosed
US-7803536-B2 Methods of detecting fluorescence with anthraquinone quencher dyes INTEGRATED DNA TECHNOLOGIES, INC. (US) 2010-09-28 — — US disclosed
US-20040110308-A1 Anthraquinone quencher dyes, their methods of preparation and use INTEGRATED DNA TECHNOLOGIES, INC. (US) 2004-06-10 — — US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 — — 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-20110060150-A1 METHOD OF DETECTING FLUORESCENCE ANXA5, ANTXR2, ANXA4 TOP2B 1371/4885ADORA2A 258/4885CSNK1A1 3969/4885

“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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