SCHEMBL5272687

SCHEMBL5272687

C=CCNCc1c(N)cccc1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ ACHE P22303 1/20 0.30

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
SCHEMBL6337418 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHRALOX15
Hydrochloric Acid SCHEMBL5157132 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TSHRALOX15
SCHEMBL5272513 0.79 TSHR (0.41) SLC6A2SLC6A4SLC6A3TSHRALOX15
SCHEMBL89099 0.77 TSHR (0.43) TSHRALOX15ALDH1A1KDM4EMAPT
SCHEMBL5268581 0.76 CA12 (0.42) SLC6A4TSHRALOX15KDM4ECA9
SCHEMBL474894 0.76 CA12 (0.40) SLC6A4TSHRALOX15ALDH1A1KDM4E
SCHEMBL5271638 0.75 GRIN2B (0.43) SLC6A4SLC6A3TSHRALOX15HTR1A
SCHEMBL5275322 0.74 TERT (0.42) TSHRALOX15KDM4ECA9HSD17B10
SCHEMBL5271162 0.73 MEN1 (0.42) TSHRALOX15CYP2D6CA2
SCHEMBL5277661 0.73 CA1 (0.38) TSHRALOX15CA1CA2

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 SLC6A2 3986/4885SLC6A4 3590/4885SLC6A3 4009/4885

“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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