SCHEMBL6151230

SCHEMBL6151230

O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.81
POLB P06746 2/20 0.81
MAPT P10636 5/20 0.81
ALDH1A1 P00352 4/20 0.75
ADRB1 P08588 1/20 0.75
LMNA P02545 2/20 0.71
GAA P10253 1/20 0.67
AKR1C3 P42330 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL15271381 1.00 SIRT6 (0.81) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL7048817 0.94 MAPT (0.85) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL12952781 0.92 SIRT6 (0.71) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL1851861 0.91 MAPT (0.89) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL378458 0.91 MAPT (0.96) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL29028271 0.90 POLB (0.69) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL13159166 0.90 SIRT6 (0.69) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL20639764 0.90 SIRT6 (0.69) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL3891177 0.90 MAPT (0.70) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL447471 0.90 SIRT6 (1.00) SIRT6POLBMAPTALDH1A1ADRB1

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 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 SIRT6 1570/4885POLB 415/4885MAPT 945/4885

“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.