SCHEMBL4803386

SCHEMBL4803386

O=C1C(=O)N(CCO)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.79
BCHE P06276 3/20 0.79
TGM2 P21980 1/20 0.67
ALDH1A1 P00352 7/20 0.65
ALDH3A1 P30838 6/20 0.65
ALDH2 P05091 4/20 0.65
PARK7 Q99497 1/20 0.65
CDC25A P30304 1/20 0.61
PKM P14618 1/20 0.61
TP53 P04637 1/20 0.59
CHRM1 P11229 1/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
ACHE P22303 1/20 0.56
CES2 O00748 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TTR P02766 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
SCHEMBL4624469 0.89 CES1 (0.73) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL19924204 0.88 CES1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL6142742 0.87 CES1 (0.59) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL25119569 0.85 CES1 (0.85) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL1426402 0.85 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL25119255 0.83 CES1 (0.84) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL281511 0.83 CES1 (0.89) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL9728197 0.81 CES1 (0.79) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL7824511 0.81 CES1 (0.79) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL3016508 0.81 CES1 (0.79) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253732-B Beta-carboline derivative of N-N bridged isatin unit, and preparation method and application thereof 石河子大学 2024-04-12 CN claimed
CN-116253732-A Beta-carboline derivative of N-N bridged isatin unit, and preparation method and application thereof 石河子大学 2023-06-13 CN claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES 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
CN-116253732-B Beta-carboline derivative of N-N bridged isatin unit, and preparation method and application thereof 石河子大学 2024-04-12 CN disclosed
CN-116253732-A Beta-carboline derivative of N-N bridged isatin unit, and preparation method and application thereof 石河子大学 2023-06-13 CN disclosed
CN-101043918-B Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE 2010-05-26 CN disclosed
US-7374583-B2 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2008-05-20 US disclosed
WO-2007132280-A1 ISATIN AND ITS DERIVATIVES FOR USE AS A MEDICAMENT Szegedi Tudományegyetem (HU) 2007-11-22 WO disclosed
US-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2007-09-27 US disclosed
CN-101043918-A Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE (US) 2007-09-26 CN disclosed
EP-1802375-A1 CATIONIC AZACYANINE DYES AND COLORANTS CONTAINING THESE Wella Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006042614-A1 CATIONIC AZACYANINE DYES AND COLORANTS CONTAINING THESE THE PROCTER & GAMBLE COMPANY (US) 2006-04-27 WO disclosed
US-6887448-B2 Method for production of high purity silicon SOLARWORLD AG (DE) 2005-05-03 US disclosed
US-20040047797-A1 Method for production of high purity silicon SOLARWORLD AKTIENGESELLSCHAFT (DE) 2004-03-11 US 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-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes KRT18, DNMT1, NUP205 CES1 3549/4885BCHE 1182/4885TGM2 1976/4885

“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.