SCHEMBL6150880

SCHEMBL6150880

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
GFER P55789 4/20 0.62
KDM4E B2RXH2 3/20 0.62
GAA P10253 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
RAD52 P43351 1/20 0.62
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 2/20 0.58
ADRA2C P18825 1/20 0.58
PTK2B Q14289 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP6 P55212 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL188852 1.00 MAPT (0.62) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL6151437 1.00 MAPT (0.62) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL5202340 0.93 MAPT (0.56) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL6152013 0.89 MAPT (0.59) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL1364675 0.89 MAPT (0.59) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL27805942 0.85 MAPT (0.67) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL24123667 0.85 L3MBTL3 (0.51) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL14409702 0.84 GFER (0.53) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL15651612 0.83 MAPT (0.65) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL3440162 0.83 MAPT (0.65) MAPTGFERKDM4EGAASMN1; 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 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 945/4885GFER 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.