SCHEMBL1369446

SCHEMBL1369446

NCCCC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
LTA4H P09960 1/20 0.36
BRD4 O60885 6/20 0.35
BRPF1 P55201 1/20 0.34
FURIN P09958 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
HDAC3 O15379 2/20 0.32

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
Hydrochloric Acid SCHEMBL1370010 0.99 XDH (0.44) XDHHDAC1HDAC2LTA4HBRD4
SCHEMBL1369225 0.91 XDH (0.41) XDHHDAC1HDAC2BRD4BRPF1
Hydrochloric Acid SCHEMBL1371823 0.90 XDH (0.40) XDHHDAC1HDAC2BRD4BRPF1
SCHEMBL2623138 0.86 XDH (0.62) XDHHDAC1HDAC2BRD4CA1
SCHEMBL13538979 0.85 XDH (0.45) XDHHDAC1HDAC2LTA4HBRD4
SCHEMBL7052321 0.85 XDH (0.61) XDHHDAC1HDAC2BRD4CA1
SCHEMBL5193809 0.85 XDH (0.61) XDHHDAC1HDAC2BRD4CA1
SCHEMBL27570010 0.82 DEGS1 (0.47) XDHHDAC1HDAC2BRD4BRPF1
SCHEMBL1371416 0.82 XDH (0.41) XDHHDAC1HDAC2BRD4AURKA
SCHEMBL2826232 0.81 HDAC1 (0.37) XDHHDAC1HDAC2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US claimed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 EP claimed
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
EP-2303884-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2011-04-06 EP disclosed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 WO disclosed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 WO disclosed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 EP disclosed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 EP 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-20110288106-A1 ADENINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 XDH 408/4885HDAC1 3321/4885HDAC2 3234/4885

“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.