SCHEMBL5272017

SCHEMBL5272017

Nc1cccc(O)c1CNc1cccc(NCCO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
FCGR3B O75015 1/20 0.33
FCGR1A P12314 1/20 0.33
FCGR2A P12318 1/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
TERT O14746 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL5271190 0.91 MAPT (0.37) MAPTHPGDBCHEACHECYP1A2
SCHEMBL5274827 0.86 MAPT (0.33) MAPTHPGDBCHEACHEFCGR3B
Diethanolamine SCHEMBL5272761 0.84 HIF1A (0.38) MAPTHPGDCYP1A2RECQLMCL1
SCHEMBL5272106 0.84 KDM4E (0.46) MAPTHPGDHTTALOX15TSHR
SCHEMBL5269760 0.83 DDX3X (0.42) MAPTHPGDBCHEACHECYP3A4
SCHEMBL5268996 0.83 BCHE (0.49) MAPTHPGDBCHEACHECYP1A2
SCHEMBL5271692 0.83 SIRT1 (0.41) MAPTHPGDBCHEACHEKDM4E
SCHEMBL5270159 0.82 HDAC4 (0.37) MAPTHPGDBCHEACHEHTT
SCHEMBL5319851 0.81 MAPT (0.35) MAPTHPGDBCHEACHEHTT
SCHEMBL5270890 0.81 HIF1A (0.44) MAPTHPGDCYP1A2ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 US claimed
EP-1846361-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-10-24 EP disclosed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 US disclosed
WO-2006086374-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-08-17 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-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds KRT18, COL2A1, COL1A1 MAPT 317/4885HPGD 690/4885BCHE 3797/4885

“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.