SCHEMBL3868573

SCHEMBL3868573

CC(CO)(CO)Nc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
RAB9A P51151 4/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
PKM P14618 2/20 0.35
NR4A1 P22736 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34

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
Hydrochloric Acid SCHEMBL3857758 0.98 MAPT (0.38) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL21799836 0.81 MAPT (0.40) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL5411877 0.78 NPSR1 (0.49) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL3858475 0.78 MAPT (0.41) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL3858324 0.76 MAPT (0.36) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL19322633 0.76 MAPT (0.36) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL3856746 0.76 ALDH1A1 (0.49) RAB9ACYP1A2ALDH1A1CYP3A4POLB
SCHEMBL3626997 0.76 MAPT (0.43) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL2341420 0.75 MAPT (0.42) MAPTRAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL12736512 0.74 MAPT (0.38) MAPTRAB9ACYP1A2CYP2C19ALDH1A1

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
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1580184-A1 secondary N-alkylepolyhydroxilated p-phenylendiamines, dye composition comprising them, processes and uses L'OREAL (FR) 2005-09-28 EP claimed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1580184-A1 secondary N-alkylepolyhydroxilated p-phenylendiamines, dye composition comprising them, processes and uses L'OREAL (FR) 2005-09-28 EP 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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP MAPT 2302/4885RAB9A 3861/4885CYP1A2 1801/4885

“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.