SCHEMBL6152312

SCHEMBL6152312

CC(=O)N1CCN(C(C)=O)CCN(c2ccc(N)c(C)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.64
CASP6 P55212 1/20 0.64
GAA P10253 4/20 0.59
RAD52 P43351 1/20 0.59
MAPT P10636 6/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.48
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IP6K1 Q92551 1/20 0.45

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
SCHEMBL10359672 1.00 GFER (0.64) GFERCASP6GAARAD52MAPT
SCHEMBL6151256 1.00 GFER (0.64) GFERCASP6GAARAD52MAPT
SCHEMBL5202552 0.94 GFER (0.57) GFERCASP6GAARAD52MAPT
SCHEMBL11299225 0.88 GAA (0.59) GFERCASP6GAARAD52MAPT
SCHEMBL23123959 0.87 GFER (0.68) GFERCASP6GAAMAPTMEN1
SCHEMBL6151434 0.85 GAA (0.77) GFERGAARAD52MAPTTHRB
SCHEMBL15358759 0.85 GAA (0.77) GFERGAARAD52MAPTTHRB
SCHEMBL6151231 0.84 GAA (0.55) GFERCASP6GAARAD52MAPT
SCHEMBL17002237 0.83 GFER (0.62) GFERCASP6GAAMAPTMEN1
SCHEMBL16003487 0.83 GFER (0.62) GFERCASP6MAPTMEN1KMT2A

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 3 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
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 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-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 1541/4885GAA 4694/4885

“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.