SCHEMBL5272425

SCHEMBL5272425

Nc1ccc(NCc2c(N)cccc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 4/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX12 P18054 2/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
ACHE P22303 3/20 0.38
BCHE P06276 1/20 0.38
ALOX15 P16050 2/20 0.38
APP P05067 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2993410 0.91 MAOA (0.46) MAOAMAOBMAPTCA2CA1
SCHEMBL5272368 0.90 BCHE (0.47) MAPTCA2CA1CA12CA9
SCHEMBL5270890 0.88 HIF1A (0.44) MAOBMAPTCA2CA1CA12
SCHEMBL2981314 0.87 MAOA (0.49) MAOAMAOBMAPTHSD17B10HIF1A
SCHEMBL5269253 0.87 MAPT (0.42) MAOBMAPTCA2CA1CA12
SCHEMBL5274977 0.87 AGER (0.47) MAPTCA2CA1CA12CA9
SCHEMBL5272301 0.87 MAPT (0.57) MAPTCA2CA1CA12CA9
SCHEMBL5270148 0.87 ACHE (0.42) MAOBMAPTCA2CA1CA12
SCHEMBL5271190 0.85 MAPT (0.37) MAPTCA2CA1CA12CA9
SCHEMBL5269215 0.83 ARG1 (0.41) MAPTCA2CA1CA12CA9

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 MAOA 1173/4885MAOB 1699/4885MAPT 317/4885

“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.