SCHEMBL3920596

SCHEMBL3920596

COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)NC(CCSC)C(=O)N3Cc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.41
KMT2A Q03164 5/20 0.41
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3916138 0.86 PKM (0.39) ALDH1A1L3MBTL1LMNAKMT2AACHE
SCHEMBL3914904 0.84 ALDH1A1 (0.41) ALDH1A1HTTKMT2AACHEKDM4E
SCHEMBL1803218 0.81 ALDH1A1 (0.55) ALDH1A1USP2LMNAHPGDKMT2A
SCHEMBL1802615 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNAKMT2AACHE
SCHEMBL1800359 0.74 SIGMAR1 (0.41) ALDH1A1L3MBTL1LMNAHPGDACHE
SCHEMBL1801124 0.74 ENPP2 (0.44) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL1802774 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAHTTHPGD
SCHEMBL1798457 0.74 ALDH1A1 (0.41) ALDH1A1LMNAHTTHPGDKMT2A
SCHEMBL1802738 0.73 ALDH1A1 (0.43) ALDH1A1USP2KMT2AKDM4EMAPT
SCHEMBL1799031 0.73 MEN1 (0.44) ALDH1A1L3MBTL1LMNAHTTKMT2A

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-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 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 (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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 ALDH1A1 199/4885L3MBTL1 4751/4885USP2 1139/4885

“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.