SCHEMBL5268852

SCHEMBL5268852

Nc1cccc(O)c1CNc1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
P2RX1 P51575 1/20 0.42
EGFR P00533 5/20 0.42
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL5269760 0.84 DDX3X (0.42) HDAC4MAPTHPGDGAAKDM4E
SCHEMBL5268996 0.84 BCHE (0.49) HDAC4EGFRMAPTHPGDKDM4E
SCHEMBL5274977 0.84 AGER (0.47) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL5270890 0.82 HIF1A (0.44) HDAC4MEF2DMAPTHPGDALDH1A1
SCHEMBL5273435 0.82 GAA (0.43) EGFRMAPTHPGDIDO1GAA
SCHEMBL5431944 0.82 MAPT (0.61) MAPTHPGDGAAKDM4EMEN1
SCHEMBL5272106 0.82 KDM4E (0.46) HDAC4MEF2DMAPTHPGDIDO1
SCHEMBL5271508 0.81 MAPT (0.39) EGFRMAPTHPGDGAAKDM4E
SCHEMBL5269215 0.81 ARG1 (0.41) EGFRMAPTHPGDGAAKDM4E
SCHEMBL5272017 0.81 MAPT (0.39) EGFRMAPTHPGDKDM4EBCHE

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 3 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 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 HDAC4 1777/4885MEF2D 1099/4885P2RX1 4569/4885

“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.