SCHEMBL1371117

SCHEMBL1371117

CC(C)(C)OC(=O)CCNCCC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 1/20 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
SCHEMBL1370124 0.95 XDH (0.35) XDHMAPTL3MBTL1HDAC8TDP1
SCHEMBL1370481 0.93 HDAC8 (0.38) XDHMAPTL3MBTL1HDAC8TDP1
SCHEMBL1370007 0.92 L3MBTL1 (0.38) XDHMAPTL3MBTL1TDP1KDM4E
SCHEMBL1369226 0.85 CA1 (0.41) MAPTL3MBTL1TDP1KDM4E
SCHEMBL1369867 0.83 XDH (0.44) XDHMAPTTP53TSHRHSD17B10
Hydrochloric Acid SCHEMBL1371882 0.82 XDH (0.43) XDHMAPTTP53TSHRHSD17B10
SCHEMBL1369301 0.82 XDH (0.42) XDHTP53TSHRHSD17B10KDM4E
SCHEMBL1370043 0.81 CA1 (0.49) XDHMAPTL3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL1369764 0.81 XDH (0.41) XDHTP53TSHRHSD17B10KDM4E
SCHEMBL1371416 0.80 XDH (0.41) XDHTP53TSHRHSD17B10

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 8 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-2303884-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2011-04-06 — — EP claimed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 — — WO 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
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
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 408/4885MAPT 2289/4885L3MBTL1 2483/4885

“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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