SCHEMBL6152013

SCHEMBL6152013

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 5/20 0.59
GFER P55789 4/20 0.59
GAA P10253 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
RAD52 P43351 2/20 0.59
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 2/20 0.55
ADRA2C P18825 1/20 0.55
PTK2B Q14289 1/20 0.55
ESR2 Q92731 1/20 0.55
ESRRG P62508 2/20 0.52
KCNH2 Q12809 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 2/20 0.49
CASP6 P55212 1/20 0.47

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
SCHEMBL1364675 1.00 MAPT (0.59) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL188852 0.89 MAPT (0.62) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6151437 0.89 MAPT (0.62) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6150880 0.89 MAPT (0.62) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL14409702 0.84 GFER (0.53) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5202340 0.83 MAPT (0.56) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL14320563 0.83 MAPT (0.59) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL11552613 0.83 MAPT (0.58) MAPTKDM4EGAAESRRGKCNH2
SCHEMBL9393977 0.83 KDM4E (0.67) KDM4EGAASIGMAR1
SCHEMBL8334022 0.83 DRD2 (0.58) GAALMNASIGMAR1

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 2 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

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.