SCHEMBL4625824

SCHEMBL4625824

O=C1C(=O)N(NCCS(=O)(=O)O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 11/20 0.44
▸ BCHE P06276 3/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ TTR P02766 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ ALDH2 P05091 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ AGTR1 P30556 1/20 0.39

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
SCHEMBL7265150 0.84 ALDH1A1 (0.42) ALDH1A1PKMGAANPSR1
Formamide SCHEMBL7261761 0.78 KMT2A (0.40) ALDH1A1CA1CA2NPSR1
SCHEMBL5707694 0.77 CES1 (0.53) CES1BCHETGM2ALDH1A1CHRM1
SCHEMBL4625168 0.73 CES1 (0.71) CES1BCHETGM2ALDH1A1CHRM1
SCHEMBL4625539 0.71 CES1 (0.67) CES1BCHETGM2ALDH1A1CHRM1
SCHEMBL5159132 0.70 CES1 (0.52) CES1BCHETGM2TTRALDH1A1
Water SCHEMBL28254233 0.68 CES1 (0.50) CES1BCHETGM2TTRALDH1A1
SCHEMBL6846339 0.68 CES1 (0.57) CES1BCHETGM2TTRALDH1A1
SCHEMBL2907574 0.68 CYP1A2 (0.42) ALDH1A1PKMCA1CA2GAA
SCHEMBL31707425 0.66 CES1 (0.52) CES1BCHETGM2TTRALDH1A1

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 33 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
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-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
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-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN 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-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-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
EP-0977545-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-02-09 — — 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

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.

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