SCHEMBL4624937

SCHEMBL4624937

CN(C)CN1C(=O)C(=O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.65
BCHE P06276 3/20 0.65
TGM2 P21980 2/20 0.65
CYP1A2 P05177 1/20 0.58
HIF1A Q16665 1/20 0.58
ALDH1A1 P00352 6/20 0.57
ALDH3A1 P30838 5/20 0.57
ALDH2 P05091 3/20 0.57
CHRM1 P11229 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CDC25A P30304 1/20 0.55
PARK7 Q99497 1/20 0.54
ACHE P22303 1/20 0.54
CES2 O00748 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL4205713 0.83 DRD2 (0.72) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL4610945 0.83 CES1 (0.61) CES1BCHETGM2ALDH1A1ALDH3A1
Hydrochloric Acid SCHEMBL9397346 0.81 DRD2 (0.70) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL29649695 0.79 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL5114051 0.79 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL26930330 0.79 TGM2 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL19924204 0.79 CES1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL3275917 0.79 DRD3 (0.61) CYP1A2HIF1AALDH1A1MAOB
Ammonia Solution, Strong SCHEMBL27875488 0.78 CES1 (0.69) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL4625594 0.77 CES1 (0.57) CES1BCHETGM2ALDH1A1ALDH3A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1705227-A2 New dyestuffs and colorants with specific carbonyl compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2006-09-27 EP claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US claimed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
EP-0977545-B1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2005-02-16 EP claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-6203579-B1 MIXTURE OF ISATIN DERIVATIVE AND AMINO COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-20 US claimed
EP-0977545-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-02-09 EP claimed
WO-1998047472-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP disclosed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP disclosed
WO-1998047472-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO disclosed
EP-0873745-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 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-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 CES1 2379/4885BCHE 977/4885TGM2 1412/4885

“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.