SCHEMBL5269760

SCHEMBL5269760

Nc1cccc(NCc2c(N)cccc2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL5268996 0.87 BCHE (0.49) MAPTHPGDTDP1KDM4ELMNA
SCHEMBL5270890 0.85 HIF1A (0.44) MAPTHPGDALDH1A1CA12CA1
SCHEMBL5273435 0.84 GAA (0.43) MAPTHPGDKDM4EMEN1LMNA
SCHEMBL5431944 0.84 MAPT (0.61) MAPTHPGDTDP1KDM4EMEN1
SCHEMBL5272106 0.84 KDM4E (0.46) MAPTHPGDTDP1KDM4EMEN1
SCHEMBL5268852 0.84 HDAC4 (0.44) MAPTHPGDKDM4EMEN1GAA
SCHEMBL5269215 0.84 ARG1 (0.41) MAPTHPGDKDM4EMEN1GAA
SCHEMBL5271508 0.84 MAPT (0.39) MAPTHPGDTDP1KDM4EMEN1
SCHEMBL5272425 0.83 MAOA (0.42) MAPTHPGDKDM4EMEN1KMT2A
SCHEMBL5272017 0.83 MAPT (0.39) MAPTHPGDKDM4EBCHEACHE

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
EP-1846361-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-10-24 EP claimed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 US claimed
WO-2006086374-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-08-17 WO 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 DDX3X 4320/4885MAPT 317/4885HPGD 690/4885

“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.