SCHEMBL1370481

SCHEMBL1370481

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.38
▸ XDH P47989 1/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL1370007 0.88 L3MBTL1 (0.38) XDHL3MBTL1TDP1MAPT
SCHEMBL1369226 0.81 CA1 (0.41) L3MBTL1NPSR1TDP1MAPTMEN1
SCHEMBL1370043 0.79 CA1 (0.49) XDHL3MBTL1NPSR1TDP1MAPT
Hydrochloric Acid SCHEMBL1371882 0.78 XDH (0.43) XDHHDAC1HDAC2AURKAMAPT
SCHEMBL1369301 0.78 XDH (0.42) XDHHDAC1HDAC2AURKAKMT2A
Hydrochloric Acid SCHEMBL1369764 0.77 XDH (0.41) XDHHDAC1HDAC2AURKAKMT2A
SCHEMBL5193809 0.76 XDH (0.61) XDHHDAC1HDAC2L3MBTL1AURKA
SCHEMBL1371416 0.75 XDH (0.41) XDHHDAC1HDAC2AURKA
SCHEMBL2623138 0.74 XDH (0.62) XDHHDAC1HDAC2L3MBTL1AURKA
Hydrochloric Acid SCHEMBL1370900 0.74 XDH (0.40) XDHHDAC1HDAC2AURKA

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 HDAC8 3070/4885XDH 408/4885HDAC1 3321/4885

“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.

Send feedback