SCHEMBL3919446

SCHEMBL3919446

CSCCC1NC2(CCN(S(=O)(=O)c3ccc(C)c(O)c3)CC2)N(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
USP2 O75604 2/20 0.35
GAA P10253 1/20 0.35
ADORA2B P29275 1/20 0.34
TP53 P04637 3/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 2/20 0.33
HTR2A P28223 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL3919441 0.88 TP53 (0.42) ALDH1A1KDM4EMAPTTDP1USP2
SCHEMBL3919283 0.85 MEN1 (0.35) ALDH1A1KDM4EMAPTTDP1USP2
SCHEMBL3925412 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTUSP2GAA
SCHEMBL3916838 0.79 KMT2A (0.42) ALDH1A1KDM4ETDP1KMT2ALMNA
SCHEMBL3926295 0.78 FNTA (0.37) ALDH1A1KDM4EKMT2ALMNAHSD17B10
SCHEMBL3920925 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL3927067 0.78 GAA (0.37) GAAKMT2AHTT
SCHEMBL4035046 0.77 GAA (0.35) ALDH1A1GAAKMT2A
SCHEMBL3919512 0.77 GAA (0.39) ALDH1A1GAAKMT2A
SCHEMBL3919262 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTDP1USP2

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 ALDH1A1 199/4885KDM4E 2581/4885MAPT 689/4885

“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.