SCHEMBL6151805

SCHEMBL6151805

O=[N+]([O-])c1ccc(N2CCNCCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.96
ADRB1 P08588 1/20 0.96
POLB P06746 1/20 0.67
MAPT P10636 4/20 0.66
HTR7 P34969 2/20 0.64
HTR1A P08908 1/20 0.64
ALDH1A1 P00352 2/20 0.62
LMNA P02545 1/20 0.59
RECQL P46063 1/20 0.56
GAA P10253 1/20 0.56
AKR1C3 P42330 1/20 0.55
KCNJ1 P48048 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL7526992 0.98 SIRT6 (1.00) SIRT6ADRB1POLBMAPTHTR7
SCHEMBL336262 0.98 SIRT6 (1.00) SIRT6ADRB1POLBMAPTHTR7
Hydrogen Sulfide SCHEMBL28002215 0.96 SIRT6 (0.96) SIRT6ADRB1POLBMAPTHTR7
SCHEMBL6152151 0.96 SIRT6 (0.96) SIRT6ADRB1POLBMAPTHTR7
Hydrochloric Acid SCHEMBL1814630 0.96 SIRT6 (0.96) SIRT6ADRB1POLBMAPTHTR7
SCHEMBL1496058 0.96 SIRT6 (0.96) SIRT6ADRB1POLBMAPTHTR7
SCHEMBL27980887 0.93 SIRT6 (0.90) SIRT6ADRB1POLBMAPTHTR7
SCHEMBL942183 0.92 SIRT6 (0.87) SIRT6ADRB1POLBMAPTHTR7
Hydrochloric Acid SCHEMBL7984519 0.90 SIRT6 (0.84) SIRT6ADRB1POLBMAPTHTR7
Propane SCHEMBL27412411 0.90 SIRT6 (0.84) SIRT6ADRB1POLBMAPTHTR7

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 1570/4885ADRB1 3709/4885POLB 415/4885

“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.