SCHEMBL15569112

SCHEMBL15569112

CC[N+](CCO)(CCO)CCOc1ccc(N)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
USP2 O75604 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CASP1 P29466 1/20 0.56
HTT P42858 1/20 0.56
CASP7 P55210 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
CHRM2 P08172 2/20 0.42
LMNA P02545 1/20 0.42
CHRM1 P11229 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL15568810 0.91 GAA (0.54) MAPTUSP2KDM4EGAATP53
SCHEMBL2927089 0.85 KDM4E (0.59) MAPTUSP2KDM4EGAATP53
SCHEMBL15568434 0.82 GAA (0.55) MAPTUSP2KDM4EGAATP53
SCHEMBL2926661 0.82 GAA (0.63) MAPTUSP2KDM4EGAATP53
Hydrochloric Acid SCHEMBL5567171 0.81 GAA (0.61) MAPTUSP2KDM4EGAATP53
SCHEMBL2930159 0.79 GAA (0.63) MAPTUSP2KDM4EGAATP53
SCHEMBL29358757 0.78 MAPT (0.65) MAPTUSP2KDM4EGAATP53
SCHEMBL35916 0.78 MAPT (0.65) MAPTUSP2KDM4EGAATP53
Hydrochloric Acid SCHEMBL5566013 0.78 GAA (0.61) MAPTUSP2KDM4EGAATP53
SCHEMBL7121033 0.77 KDM4E (0.42) MAPTUSP2KDM4EGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364404-B2 Dye composition comprising a cationic O-alkyl-substituted meta-phenylenediamine derivative L'OREAL (FR) 2016-06-14 US claimed
US-20150202135-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2015-07-23 US claimed
EP-2885270-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE L'Oréal (FR) 2015-06-24 EP claimed
WO-2014026952-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2014-02-20 WO claimed
US-9364404-B2 Dye composition comprising a cationic O-alkyl-substituted meta-phenylenediamine derivative L'OREAL (FR) 2016-06-14 US disclosed
US-20150202135-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2015-07-23 US 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-20150202135-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE MT-ND6, C5, C9 MAPT 4160/4885USP2 4846/4885KDM4E 4459/4885

“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.