SCHEMBL3917060

SCHEMBL3917060

CSCCC1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4041520 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL3927003 0.82 DRD4 (0.39) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL3925378 0.72 KDM4E (0.32) ALDH1A1
SCHEMBL1800547 0.70 TDP1 (0.47) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL3916075 0.70 LMNA (0.44) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL1797546 0.70 CYP2C19 (0.33) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL4034635 0.68 HDAC8 (0.35) ALDH1A1KMT2AGAA
SCHEMBL1800370 0.68 HPGD (0.48) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL4036735 0.68 MAPT (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19GAA
SCHEMBL1802265 0.68 KMT2A (0.55) ALDH1A1MEN1KMT2AL3MBTL1CYP3A4

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 5 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
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 ALDH1A1 199/4885MEN1 1493/4885KMT2A 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.