SCHEMBL5388488

SCHEMBL5388488

CN(C)c1ccc(C=NCCO)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
MAPT P10636 12/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 5/20 0.51
HTT P42858 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
THRB P10828 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 6/20 0.44
LMNA P02545 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
BLM P54132 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL5388486 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL27558819 0.86 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5711293 0.85 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7022851 0.85 CA12 (0.65) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5711295 0.85 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5710814 0.84 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5711452 0.84 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5710802 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5710804 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL27604701 0.81 ADRA2A (0.37) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US disclosed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP disclosed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 WO disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP disclosed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 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 (2 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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 ALDH1A1 343/4885MAPT 259/4885MEN1 4420/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ALDH1A1 780/4885MAPT 2036/4885MEN1 2301/4885

“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.