SCHEMBL5320333

SCHEMBL5320333

Nc1cccc(O)c1CNCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ OXTR P30559 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ VEGFA P15692 2/20 0.41
▸ EGLN1 Q9GZT9 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLA1 P09884 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC1 Q13547 2/20 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
SCHEMBL5426527 0.81 SLC2A4 (0.54) ALDH1A1PKMGAAMEN1KMT2A
SCHEMBL5270148 0.79 ACHE (0.42) ALDH1A1CYP2C9CYP2C19CA12CA1
SCHEMBL5272513 0.76 TSHR (0.41) CA12CA1CA2CA9HDAC1
SCHEMBL5272461 0.76 ALOX15 (0.43) ALDH1A1CA12CA2CA9GAA
SCHEMBL474894 0.73 CA12 (0.40) ALDH1A1CA12CA2CA9SMN1; SMN2
SCHEMBL5268581 0.73 CA12 (0.42) CA12CA2CA9
SCHEMBL415949 0.73 CHRM2 (0.67) ALDH1A1OXTRAVPR1ACHRM2CYP2C9
SCHEMBL5271638 0.72 GRIN2B (0.43) CA12CA2CA9MEN1KMT2A
SCHEMBL7114757 0.72 PKM (0.63) CHRM2CYP2C9CYP2C19CA1CA2
SCHEMBL16180798 0.72 ALDH1A1 (0.60) ALDH1A1OXTRAVPR1ACHRM2CYP2C9

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 ALDH1A1 402/4885OXTR 2659/4885AVPR1A 4147/4885

“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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