SCHEMBL6152128

SCHEMBL6152128

NCCN1CCN(c2ccc(N)cc2)CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
GFER P55789 4/20 0.65
KDM4E B2RXH2 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
GAA P10253 3/20 0.65
RAD52 P43351 2/20 0.65
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 2/20 0.60
ADRA2C P18825 1/20 0.60
PTK2B Q14289 1/20 0.60
ESR2 Q92731 1/20 0.60
CYP2D6 P10635 1/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
THRB P10828 2/20 0.52

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
SCHEMBL15651612 1.00 MAPT (0.65) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL15599502 0.87 MAPT (0.62) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL3440162 0.85 MAPT (0.65) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL14320563 0.84 MAPT (0.59) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL374548 0.83 KDM4E (0.73) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL4400393 0.83 KDM4E (0.61) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL1307372 0.83 MAPT (0.58) MAPTGFERGAAALDH1A1CYP2D6
SCHEMBL6150880 0.83 MAPT (0.62) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL5185973 0.83 CYP2D6 (0.54) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL6151437 0.83 MAPT (0.62) MAPTGFERKDM4ESMN1; SMN2GAA

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 MAPT 945/4885GFER 1599/4885KDM4E 547/4885

“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.