SCHEMBL6151120

SCHEMBL6151120

Nc1ccc(N2CCN(c3ccc(N)cc3)CCN(c3ccc(N)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.77
ALDH1A1 P00352 7/20 0.77
GFER P55789 6/20 0.77
LMNA P02545 6/20 0.77
GAA P10253 5/20 0.77
ADRA2C P18825 4/20 0.77
KDM4E B2RXH2 3/20 0.77
KMT2A Q03164 3/20 0.77
HTT P42858 2/20 0.77
MAPK1 P28482 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
PTK2B Q14289 1/20 0.77
ESR2 Q92731 1/20 0.77
L3MBTL1 Q9Y468 2/20 0.73
MEN1 O00255 2/20 0.73
NPC1 O15118 1/20 0.73
USP2 O75604 1/20 0.73
TP53 P04637 1/20 0.73
POLB P06746 1/20 0.73
THRB P10828 1/20 0.73

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
SCHEMBL23347931 1.00 MAPT (0.77) MAPTALDH1A1GFERLMNAGAA
SCHEMBL7043679 1.00 MAPT (0.77) MAPTALDH1A1GFERLMNAGAA
SCHEMBL112440 0.92 MAPT (0.78) MAPTALDH1A1GFERLMNAGAA
SCHEMBL12952701 0.90 MAPT (0.65) MAPTALDH1A1GFERLMNAGAA
Hydrochloric Acid SCHEMBL5169602 0.90 MAPT (0.83) MAPTALDH1A1GFERLMNAGAA
SCHEMBL1858354 0.89 ALDH1A1 (0.82) MAPTALDH1A1GFERLMNAGAA
SCHEMBL33852 0.89 ALDH1A1 (0.91) MAPTALDH1A1GFERLMNAGAA
SCHEMBL3055201 0.88 MAPT (0.63) MAPTALDH1A1GFERLMNAGAA
SCHEMBL13159173 0.88 MAPT (0.63) MAPTALDH1A1GFERLMNAGAA
SCHEMBL6414948 0.88 MAPT (1.00) MAPTALDH1A1GFERLMNAGAA

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-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
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 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 945/4885ALDH1A1 741/4885GFER 1599/4885

“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.