SCHEMBL3859485

SCHEMBL3859485

CC(CO)(CO)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL3858400 0.82 MEN1 (0.52) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL3662903 0.80 ALDH1A1 (0.57) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL1466162 0.80 MEN1 (0.65) ALDH1A1RECQLHSD17B10MAPTMEN1
Ammonia Solution, Strong SCHEMBL28461881 0.78 MEN1 (0.63) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL6671270 0.78 MAPT (0.54) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL21750796 0.78 MAPT (0.46) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL4696383 0.77 ALDH1A1 (0.53) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL5154859 0.76 MAPT (0.53) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL4416347 0.76 MAPT (0.56) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL12347503 0.75 MEN1 (0.59) ALDH1A1RECQLHSD17B10MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 763/4885RECQL 1347/4885HSD17B10 1265/4885

“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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