SCHEMBL2127393

SCHEMBL2127393

Cc1cc(N2CCC(n3cc[n+](C)c3)C2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.41
GAA P10253 2/20 0.41
HRH3 Q9Y5N1 11/20 0.32
LGMN Q99538 1/20 0.32
KCNH2 Q12809 6/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.31
DPP4 P27487 1/20 0.31
KHK P50053 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
PTK2B Q14289 1/20 0.30

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
Hydrochloric Acid SCHEMBL2540311 0.99 RAD52 (0.40) RAD52GAAHRH3LGMNKCNH2
Hydrochloric Acid SCHEMBL6328982 0.98 RAD52 (0.40) RAD52GAAHRH3LGMNKCNH2
SCHEMBL2922707 0.85 GAA (0.39) RAD52GAAHRH3LGMNKCNH2
Hydrochloric Acid SCHEMBL6505113 0.84 GAA (0.38) RAD52GAAHRH3LGMNKCNH2
SCHEMBL2126499 0.84 MAPT (0.37) RAD52GAAHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL3069752 0.83 GAA (0.34) RAD52GAA
Hydrochloric Acid SCHEMBL2537577 0.83 MAPT (0.36) RAD52GAAHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL6159442 0.83 MAPT (0.37) RAD52GAAHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL6331452 0.83 MAPT (0.36) RAD52GAAHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL2127646 0.82 GAA (0.31) RAD52GAA

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348695-B1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre OREAL (FR) 2012-04-25 EP claimed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US claimed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US claimed
EP-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP claimed
EP-2175830-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'Oreal (FR) 2010-04-21 EP claimed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO claimed
WO-2009016061-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL (FR) 2009-02-05 WO claimed
EP-1428515-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; methods and uses OREAL (FR) 2008-07-02 EP claimed
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
EP-1559412-A1 Keratinous fibre-dyeing composition containing an alcohol oxydase and a cationic oxidation base L'OREAL (FR) 2005-08-03 EP claimed
EP-1428506-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polymere containing a fatty chain; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428512-A1 Dyeing composition containing a tertiary cationic paraphenylendiamine and a paraaminophenol, process and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428513-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a opacifying or pearlescent agent; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428514-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428505-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic direct dye containing a heterocyclic group ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428516-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polyol ester; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428508-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a monosaccharide or disaccharide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428509-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polyol; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1348695-A1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre L'OREAL (FR) 2003-10-01 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-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN RAD52 1528/4885GAA 2045/4885HRH3 2339/4885

“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.