SCHEMBL3918973

SCHEMBL3918973

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL3918975 1.00 L3MBTL1 (0.46) L3MBTL1LMNAEPHX2ALDH1A1KMT2A
SCHEMBL4037858 0.86 L3MBTL1 (0.48) L3MBTL1LMNAEPHX2ALDH1A1KMT2A
SCHEMBL4037859 0.86 L3MBTL1 (0.48) L3MBTL1LMNAEPHX2ALDH1A1KMT2A
SCHEMBL3916032 0.83 CYP2D6 (0.42) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3925389 0.83 ACLY (0.35) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL3916082 0.83 EPHX2 (0.46) L3MBTL1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL3925468 0.83 MMP2 (0.37) L3MBTL1LMNAALDH1A1KMT2AMEN1
SCHEMBL1801523 0.81 LMNA (0.45) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL1805257 0.81 LMNA (0.45) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3916725 0.80 KMT2A (0.40) LMNAALDH1A1KMT2AMEN1MAPT

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 4 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
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
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US 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 L3MBTL1 4751/4885LMNA 1640/4885EPHX2 4355/4885

“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.