SCHEMBL5426527

SCHEMBL5426527

Nc1cccc(O)c1CNCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC2A4 P14672 1/20 0.54
▸ NOS3 P29474 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ NSD2 O96028 1/20 0.41
▸ PKM P14618 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL5320333 0.81 ALDH1A1 (0.45) PKMALDH1A1GAASMN1; SMN2MEN1
SCHEMBL5272513 0.76 TSHR (0.41) CYP2D6
SCHEMBL5268581 0.73 CA12 (0.42) CYP2D6
SCHEMBL474894 0.73 CA12 (0.40) ALDH1A1SMN1; SMN2CYP2D6
Gapicomine SCHEMBL1037773 0.73 SLC2A4 (0.61) SLC2A4NOS3NOS2LOXL2ALDH1A1
SCHEMBL5271638 0.72 GRIN2B (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL7114757 0.72 PKM (0.63) PKMGAAMEN1KMT2ACYP1A2
SCHEMBL5272687 0.71 SLC6A2 (0.37) ALDH1A1MAPK1CYP2D6
SCHEMBL5271162 0.71 MEN1 (0.42) MEN1KMT2ACYP2D6
SCHEMBL5277661 0.71 CA1 (0.38) NSD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 — — US 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 SLC2A4 2350/4885NOS3 523/4885NOS2 667/4885

“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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