SCHEMBL6151485

SCHEMBL6151485

C[n+]1ccn(CCCN2CCN(c3ccc(N)cc3)CCN(c3ccc(N)cc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
GFER P55789 4/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAD52 P43351 2/20 0.50
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
ADRA2C P18825 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42

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
Hydrochloric Acid SCHEMBL6413349 0.99 MAPT (0.49) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707933 0.92 MAPT (0.53) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707970 0.91 MAPT (0.51) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707917 0.87 MAPT (0.48) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707945 0.86 MAPT (0.47) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6151173 0.84 GAA (0.55) MAPTKDM4EGAASMN1; SMN2RAD52
Hydrochloric Acid SCHEMBL6410951 0.83 GAA (0.54) MAPTKDM4EGAASMN1; SMN2RAD52
SCHEMBL6151227 0.82 SIRT6 (0.52) MAPTSMN1; SMN2KMT2AMAPK1ESRRG
SCHEMBL5707930 0.76 GAA (0.58) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL2127793 0.76 MAPT (0.35) MAPTKDM4EGFERGAASMN1; SMN2

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
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 945/4885KDM4E 547/4885GFER 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.