SCHEMBL4722331

SCHEMBL4722331

CC(=O)N1CC(=O)N/C(=C/c2ccc(OCc3ccccc3)cn2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
P4HTM Q9NXG6 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GRM5 P41594 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 2/20 0.39
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
MAOA P21397 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL4722336 1.00 MEN1 (0.48) MEN1KMT2AHRH3P4HTMPDE3B
SCHEMBL7634250 0.89 P4HTM (0.41) MEN1KMT2AHRH3P4HTMPDE3B
SCHEMBL29142488 0.76 KMT2A (0.50) MEN1KMT2AHRH3SMN1; SMN2NPC1
SCHEMBL29142493 0.76 KMT2A (0.50) MEN1KMT2AHRH3SMN1; SMN2NPC1
SCHEMBL29142457 0.73 KMT2A (0.49) MEN1KMT2AHRH3SMN1; SMN2NPC1
SCHEMBL29142463 0.73 KMT2A (0.49) MEN1KMT2AHRH3SMN1; SMN2NPC1
SCHEMBL4769381 0.71 P4HTM (0.42) MEN1KMT2AP4HTMGRM5ALDH1A1
SCHEMBL8411263 0.69 HRH3 (0.64) MEN1KMT2AHRH3NPC1RAB9A
SCHEMBL29142483 0.69 MEN1 (0.54) MEN1KMT2AHRH3
SCHEMBL29142478 0.69 MEN1 (0.54) MEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710062-B2 Piperazinedione compounds TAIPEI MEDICAL UNIVERSITY (TW) 2014-04-29 US disclosed
WO-2012125447-A2 PIPERAZINEDIONE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2012-09-20 WO disclosed
US-20120232088-A1 PIPERAZINEDIONE COMPOUNDS NATIONAL TAIWAN UNIVERSITY (TW) 2012-09-13 US disclosed
EP-1282609-B1 PIPERAZINEDIONE COMPOUNDS ANGIORX CORP (TW) 2008-12-17 EP disclosed
US-7288545-B2 Piperazinedione compounds ANGIORX CORPORATION (TW) 2007-10-30 US disclosed
US-7288545-B2 Piperazinedione compounds ANGIORX CORPORATION (TW) 2007-10-30 US disclosed
US-20040132738-A1 Piperazinedione compounds ANGIORX CORPORATION (TW) 2004-07-08 US disclosed
US-6635649-B2 3-((5-butoxy-pyrid-2-yl)methylene),6-benzylidene-piperazin-2,5 -dione, for example; treating tumors ANGIORX CORPORATION (TW) 2003-10-21 US disclosed
EP-1282609-A4 PIPERAZINEDIONE COMPOUNDS ADPHARMA INC (TW) 2003-06-04 EP disclosed
EP-1282609-A2 PIPERAZINEDIONE COMPOUNDS Adpharma Inc. (TW) 2003-02-12 EP disclosed
WO-2001095858-A2 PIPERAZINEDIONE COMPOUNDS ADPHARMA, INC. (TW) 2001-12-20 WO 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 (2 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-20120232088-A1 PIPERAZINEDIONE COMPOUNDS ABL1, ERBB2, PAK5 MEN1 2101/4885KMT2A 544/4885HRH3 3129/4885
US-20040132738-A1 Piperazinedione compounds CBR1, KDR, FLT1 MEN1 4806/4885KMT2A 2913/4885HRH3 549/4885

“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.