SCHEMBL3916138

SCHEMBL3916138

CSCCC1NC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)N(Cc2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.39
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3914904 0.89 ALDH1A1 (0.41) PKMPOLBKMT2AACHEALDH1A1
SCHEMBL3920596 0.86 ALDH1A1 (0.44) PKMKMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL1802615 0.81 ALDH1A1 (0.41) PKMKMT2AACHEALDH1A1MEN1
SCHEMBL4039393 0.81 ATAD2 (0.42) KMT2AALDH1A1GAAMAPTTDP1
SCHEMBL1800359 0.78 SIGMAR1 (0.41) PKMPOLBACHEALDH1A1NPC1
SCHEMBL1798457 0.78 ALDH1A1 (0.41) KMT2AACHEALDH1A1SMN1; SMN2MEN1
SCHEMBL1802453 0.78 ALDH1A1 (0.39) KMT2AACHEALDH1A1SMN1; SMN2MEN1
SCHEMBL1802738 0.77 ALDH1A1 (0.43) POLBKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL1800360 0.77 ALDH1A1 (0.38) KMT2AACHEALDH1A1SMN1; SMN2MEN1
SCHEMBL1803037 0.77 LMNA (0.37) KMT2AACHEALDH1A1SMN1; SMN2TDP1

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-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
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 PKM 1588/4885POLB 1447/4885KMT2A 4051/4885

“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.