SCHEMBL5086751

SCHEMBL5086751

CN1CCN(C(=O)Cc2ccc(N)c(O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 2/20 0.42
ECE2 P0DPD6 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HSD11B1 P28845 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
PANK3 Q9H999 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL10668207 0.88 MAPT (0.58) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL5088782 0.87 ECE2 (0.55) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL5169637 0.85 SMN1; SMN2 (0.56) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL5094898 0.84 KMT2A (0.46) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL5247659 0.83 KMT2A (0.63) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL10154817 0.82 MAPT (0.63) MAPTSMN1; SMN2KMT2AMEN1KDM4E
Phosphoric Acid SCHEMBL5257279 0.82 ECE2 (0.50) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL5095832 0.82 ALDH1A1 (0.45) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL2747321 0.80 MAPT (0.68) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL10668247 0.80 KCNJ1 (0.51) MAPTSMN1; SMN2POLBGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008510738-A 2008-04-10 JP claimed
EP-1781597-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-05-09 EP claimed
US-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 US claimed
WO-2006021256-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-03-02 WO claimed
EP-1781597-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-05-09 EP disclosed
US-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 US disclosed
WO-2006021256-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-03-02 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-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds KRT18, TYR, ALPG MAPT 964/4885SMN1; SMN2 4803/4885KMT2A 1777/4885

“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.