SCHEMBL2058677

SCHEMBL2058677

NN[n+]1cccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.47
BCHE P06276 13/20 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
SCHEMBL10420306 0.77 ACHE (0.47) ACHEBCHE
SCHEMBL7046862 0.74 ACHE (0.44) ACHEBCHE
SCHEMBL10419371 0.70 ACHE (0.42) ACHEBCHE
Bromide SCHEMBL6704513 0.69 ACHE (0.41) ACHEBCHE
Hydrochloric Acid SCHEMBL6704055 0.69 ACHE (0.43) ACHEBCHE
SCHEMBL901706 0.69 ACHE (0.46) ACHEBCHE
SCHEMBL9935936 0.67 ACHE (0.68) ACHEBCHE
SCHEMBL12903650 0.67 BCHE (0.83) ACHEBCHE
SCHEMBL10005295 0.64 BCHE (1.00) ACHEBCHE
Hydroxyamine SCHEMBL4937262 0.64 ACHE (0.48) ACHEBCHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201070-B1 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE OREAL (FR) 2011-11-09 EP disclosed
US-7967872-B2 Azo quinolinium compounds comprising a disulphide/thiol unit, compositions containing same, process for dyeing keratin fibres and device L'OREAL S.A. (FR) 2011-06-28 US disclosed
US-20100263139-A1 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'OREAL S.A. (FR) 2010-10-21 US disclosed
EP-2201070-A2 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'Oreal (FR) 2010-06-30 EP disclosed
WO-2009034059-A2 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'OREAL (FR) 2009-03-19 WO 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-20100263139-A1 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE KRT18, SQOR, DSG1 ACHE 833/4885BCHE 1952/4885

“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.