SCHEMBL4609657

SCHEMBL4609657

O=C1C(=O)N(CN2CCCCC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 1.00
CA2 P00918 3/20 1.00
ALDH1A1 P00352 10/20 0.75
TP53 P04637 1/20 0.75
ALDH3A1 P30838 10/20 0.74
BCHE P06276 2/20 0.73
TGM2 P21980 1/20 0.69
CES1 P23141 2/20 0.59

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
SCHEMBL4624782 0.98 CA1 (0.97) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL4625544 0.86 ALDH1A1 (1.00) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL16798705 0.85 ALDH3A1 (1.00) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL16798648 0.84 ALDH3A1 (1.00) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL4624387 0.84 ALDH3A1 (1.00) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL4625716 0.84 ALDH1A1 (0.97) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL26930330 0.82 TGM2 (1.00) CA1CA2ALDH1A1ALDH3A1BCHE
SCHEMBL9096430 0.82 ALDH3A1 (1.00) CA1CA2ALDH1A1ALDH3A1BCHE
SCHEMBL7277601 0.81 CA1 (0.68) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL29619555 0.81 CA1 (0.68) CA1CA2ALDH1A1TP53ALDH3A1

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 91 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-1139989-B1 AGENT FOR COLORING KERATINACEOUS FIBERS HENKEL KGAA (DE) 2006-10-18 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-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP 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-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1139989-A1 AGENT FOR COLORING KERATINACEOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-10-10 EP claimed
US-6203579-B1 MIXTURE OF ISATIN DERIVATIVE AND AMINO COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-20 US claimed
WO-2000038629-A1 AGENT FOR COLORING KERATINACEOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO 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

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 CA1 592/4885CA2 579/4885ALDH1A1 240/4885

“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.