SCHEMBL6152986

SCHEMBL6152986

CC(=O)N1CCN(C(C)=O)CCN(c2ccc(N)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 7/20 1.00
CASP6 P55212 1/20 1.00
MAPT P10636 12/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
GAA P10253 8/20 0.58
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
ADRA2C P18825 1/20 0.58
PTK2B Q14289 1/20 0.58
ESR2 Q92731 1/20 0.58
ALOX12 P18054 6/20 0.55
LMNA P02545 5/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 5/20 0.53
HTT P42858 3/20 0.53
TDP1 Q9NUW8 3/20 0.53

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
SCHEMBL6152043 1.00 GFER (1.00) GFERCASP6MAPTKMT2AMEN1
SCHEMBL188503 1.00 GFER (1.00) GFERCASP6MAPTKMT2AMEN1
SCHEMBL3548441 0.93 GFER (0.87) GFERCASP6MAPTKMT2AMEN1
SCHEMBL23126615 0.85 CASP6 (0.73) GFERCASP6KMT2AMEN1ALDH1A1
SCHEMBL28806386 0.85 GFER (0.73) GFERCASP6MAPTKMT2AMEN1
SCHEMBL11936072 0.83 MAPT (0.79) GFERCASP6MAPTKMT2AMEN1
SCHEMBL854196 0.83 GFER (0.71) GFERCASP6MAPTKMT2AMEN1
SCHEMBL1128293 0.83 GFER (0.71) GFERCASP6MAPTKMT2AMEN1
SCHEMBL82046 0.83 GFER (0.71) GFERCASP6MAPTKMT2AMEN1
SCHEMBL5725441 0.83 GFER (0.71) GFERCASP6MAPTKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed
EP-1518860-A1 Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres L'OREAL (FR) 2005-03-30 EP claimed

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 GFER 1599/4885CASP6 1541/4885MAPT 945/4885

“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.