SCHEMBL5394283

SCHEMBL5394283

Cc1c(O)ccc(C=NCCO)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.43
CA12 O43570 7/20 0.43
KDM4E B2RXH2 4/20 0.43
ERN1 O75460 2/20 0.41
CA9 Q16790 5/20 0.41
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 2/20 0.33
CA1 P00915 2/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5394281 1.00 CA2 (0.43) CA2CA12KDM4EERN1CA9
SCHEMBL4602064 0.78 POLB (0.46) CA2CA12KDM4EERN1CA9
SCHEMBL4602069 0.78 POLB (0.46) CA2CA12KDM4EERN1CA9
SCHEMBL17548946 0.75 MAPT (0.47) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5399291 0.75 ERN1 (0.48) CA2CA12KDM4EERN1CA9
SCHEMBL5399290 0.75 ERN1 (0.48) CA2CA12KDM4EERN1CA9
SCHEMBL5394247 0.74 CA12 (0.50) CA2CA12KDM4ECA9ALDH1A1
SCHEMBL5394241 0.74 CA12 (0.50) CA2CA12KDM4ECA9ALDH1A1
SCHEMBL5377798 0.74 ERN1 (0.43) CA2CA12KDM4EERN1CA9
SCHEMBL5377801 0.74 ERN1 (0.43) CA2CA12KDM4EERN1CA9

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 CA2 2517/4885CA12 1931/4885KDM4E 577/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 CA2 610/4885CA12 443/4885KDM4E 2103/4885

“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.