SCHEMBL4597225

SCHEMBL4597225

O=C1C(=O)N(Cc2cccs2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.59
ALDH1A1 P00352 5/20 0.59
CHRM1 P11229 2/20 0.59
ALDH2 P05091 1/20 0.59
ALDH3A1 P30838 1/20 0.59
BCHE P06276 4/20 0.57
TGM2 P21980 2/20 0.57
ACHE P22303 2/20 0.56
CES2 O00748 1/20 0.55
CHRM5 P08912 2/20 0.54
CHRM3 P20309 1/20 0.54
TSHR P16473 2/20 0.52
CYP1B1 Q16678 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
APAF1 O14727 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL1619449 0.82 ALDH1A1 (0.68) ALDH1A1TSHRCYP1B1TP53CYP1A2
SCHEMBL18288159 0.76 CES1 (0.90) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL915627 0.76 CES1 (0.60) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL29506660 0.75 ALDH1A1 (1.00) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL2087729 0.75 ALDH1A1 (1.00) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL28452624 0.74 ALDH1A1 (0.54) ALDH1A1TSHRCYP1B1CYP1A2CYP2D6
SCHEMBL19924204 0.74 CES1 (1.00) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL11881125 0.74 TSHR (0.64) ALDH1A1TSHRCYP1B1TP53CYP1A2
SCHEMBL4624390 0.73 ALDH3A1 (0.76) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL11878534 0.72 TSHR (0.56) ALDH1A1TSHRTP53CYP1A2CYP3A4

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 34 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-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
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
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 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
WO-2003030847-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
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP disclosed
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 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 2379/4885ALDH1A1 240/4885CHRM1 3371/4885

“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.