SCHEMBL5268714

SCHEMBL5268714

Nc1cccc(O)c1CNCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ GAA P10253 3/20 0.44
▸ ATM Q13315 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KDM4A O75164 1/20 0.39
▸ KDM4B O94953 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL3972301 0.89 KMT2A (0.51) KMT2AMEN1CHRM2GRIN2BPOLB
SCHEMBL843371 0.76 CHRM2 (0.69) KMT2AMEN1CHRM2POLBGAA
SCHEMBL5272513 0.75 TSHR (0.41) CA12CA1CA2TSHR
SCHEMBL27312113 0.74 KMT2A (0.50) KMT2AMEN1CHRM2POLBGAA
SCHEMBL22443868 0.74 TSHR (0.66) KMT2AMEN1CHRM2POLBGAA
Methane SCHEMBL28948442 0.74 CHRM2 (0.67) KMT2AMEN1CHRM2POLBGAA
SCHEMBL5268581 0.72 CA12 (0.42) CA12CA2TSHR
SCHEMBL474894 0.72 CA12 (0.40) CA12CA2TSHRALDH1A1
SCHEMBL5271638 0.71 GRIN2B (0.43) KMT2AMEN1GRIN2BPOLBCA12
SCHEMBL5426527 0.71 SLC2A4 (0.54) KMT2AMEN1GAAALDH1A1

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 KMT2A 679/4885MEN1 4852/4885CHRM2 2521/4885

“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.

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