SCHEMBL2126499

SCHEMBL2126499

C[n+]1ccn(C2CCN(c3ccc(N)cc3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
GFER P55789 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2C P18825 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35

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 SCHEMBL2537577 0.99 MAPT (0.36) MAPTGFERALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL6331452 0.99 MAPT (0.36) MAPTGFERALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL6159442 0.99 MAPT (0.37) MAPTGFERALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL1154193 0.97 MAPT (0.36) MAPTGFERALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL5254010 0.90 KDM4E (0.31) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL2127393 0.84 RAD52 (0.41) MAPTKDM4EGAAPTK2BHTT
Hydrochloric Acid SCHEMBL2540311 0.83 RAD52 (0.40) MAPTKDM4EGAATHRBRAD52
Hydrochloric Acid SCHEMBL6328982 0.82 RAD52 (0.40) MAPTKDM4EGAARAD52HRH3
SCHEMBL2928431 0.82 MAPT (0.33) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL2128163 0.81 MEN1 (0.45) MAPTALDH1A1KMT2AMEN1POLB

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-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-1834972-A1 Manufacture, using NCO functional carboxylic acid and carbamoyl halogenides, of isocyanate functional prepolymers which are stable during storage Bayer MaterialScience AG (DE) 2007-09-19 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
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 US 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-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-1428507-A1 Dyeing composition containing a tertiary cationic paraphenylendiamine and an organic diacid, process 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-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-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-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-1428512-A1 Dyeing composition containing a tertiary cationic paraphenylendiamine and a paraaminophenol, process 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-1428511-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic polymer; 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 (2 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-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses KRT18, DPM1, DSG1 MAPT 1357/4885GFER 4300/4885ALDH1A1 1189/4885
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 MAPT 687/4885GFER 478/4885ALDH1A1 1792/4885

“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.