SCHEMBL13043686

SCHEMBL13043686

Nc1ccc(NCCCn2cccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.49
CSNK1A1 P48729 2/20 0.49
CSNK1D P48730 2/20 0.49
CSNK1G1 Q9HCP0 2/20 0.49
MAOA P21397 2/20 0.49
FGR P09769 1/20 0.49
PIM1 P11309 1/20 0.49
DYRK1A Q13627 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
POLB P06746 7/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
BLM P54132 4/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 2/20 0.47
THRB P10828 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
SCHEMBL13790975 0.86 MEN1 (0.64) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL11645881 0.81 ADORA2A (0.54) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL11423638 0.80 ADORA2A (0.53) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL8647027 0.79 ADORA2A (0.51) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL15029218 0.79 MEN1 (0.49) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL595621 0.78 TOP2B (0.68) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL28287515 0.78 ADORA2A (0.58) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL2482880 0.78 SMN1; SMN2 (0.59) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL10061238 0.78 ADORA2A (0.50) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
Methylamine SCHEMBL10780560 0.77 ADORA2A (0.56) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA

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-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA ADORA2A 4553/4885CSNK1A1 978/4885CSNK1D 524/4885

“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.