SCHEMBL6151796

SCHEMBL6151796

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.64
HTR1A P08908 2/20 0.64
KMT2A Q03164 1/20 0.61
POLB P06746 3/20 0.59
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.57
IGF1R P08069 1/20 0.55

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
SCHEMBL2717022 1.00 SIRT6 (0.64) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL5206660 0.94 LMNA (0.63) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL5780433 0.93 KMT2A (0.58) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL4817023 0.92 SIRT6 (0.71) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL5743368 0.91 HTR1A (0.61) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL9436570 0.88 HTR1A (0.58) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL27178667 0.87 KMT2A (0.60) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL9383629 0.86 HTR1A (0.56) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL12431530 0.86 MAPT (0.70) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL27178669 0.85 KMT2A (0.51) SIRT6HTR1AKMT2APOLBMAPT

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 1570/4885HTR1A 3011/4885KMT2A 1671/4885

“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.