SCHEMBL3944945

SCHEMBL3944945

O=S(=O)([O-])CCC[n+]1ccc(/C=N/Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.52
EIF4H Q15056 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
NOX1 Q9Y5S8 2/20 0.50
MAPT P10636 9/20 0.49
KMT2A Q03164 8/20 0.49
GAA P10253 7/20 0.49
MEN1 O00255 6/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL3945910 1.00 PABPC1 (0.52) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3935496 0.96 NOX1 (0.49) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3935494 0.96 NOX1 (0.49) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3937466 0.89 NOX1 (0.47) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3937462 0.89 NOX1 (0.47) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3945915 0.87 NOX1 (0.50) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3934086 0.85 NOX1 (0.46) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3934089 0.85 NOX1 (0.46) PABPC1EIF4HCTDSP1NOX1MAPT
SCHEMBL3938939 0.84 PABPC1 (0.44) PABPC1EIF4HCTDSP1MAPTKMT2A
SCHEMBL3938936 0.84 PABPC1 (0.44) PABPC1EIF4HCTDSP1MAPTKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847250-B1 Agents for colouring keratin fibres comprising zwitterionic azomethine dyes PROCTER & GAMBLE (US) 2009-12-23 EP claimed
US-7513918-B2 Agents for coloring keratin fibers comprising zwitterionic azomethine dyes THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US claimed
EP-1852104-A1 Agents for colouring keratin fibres comprising zwitterionic azomethine dyes Wella Aktiengesellschaft (DE) 2007-11-07 EP claimed
WO-2007119228-A2 AGENTS FOR COLOURING KERATIN FIBRES COMPRISING ZWITTERIONIC AZOMETHINE DYES THE PROCTER & GAMBLE COMPANY (US) 2007-10-25 WO claimed
US-20070245501-A1 Agents for coloring keratin fibers comprising zwitterionic azomethine dyes WELLA OPERATIONS US, LLC 2007-10-25 US claimed
EP-1847250-A1 Agents for colouring keratin fibres comprising zwitterionic azomethine dyes Wella Aktiengesellschaft (DE) 2007-10-24 EP claimed
EP-1847250-B1 Agents for colouring keratin fibres comprising zwitterionic azomethine dyes PROCTER & GAMBLE (US) 2009-12-23 EP disclosed
US-7513918-B2 Agents for coloring keratin fibers comprising zwitterionic azomethine dyes THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
EP-1852104-A1 Agents for colouring keratin fibres comprising zwitterionic azomethine dyes Wella Aktiengesellschaft (DE) 2007-11-07 EP disclosed
WO-2007119228-A2 AGENTS FOR COLOURING KERATIN FIBRES COMPRISING ZWITTERIONIC AZOMETHINE DYES THE PROCTER & GAMBLE COMPANY (US) 2007-10-25 WO disclosed
US-20070245501-A1 Agents for coloring keratin fibers comprising zwitterionic azomethine dyes WELLA OPERATIONS US, LLC 2007-10-25 US disclosed
EP-1847250-A1 Agents for colouring keratin fibres comprising zwitterionic azomethine dyes Wella Aktiengesellschaft (DE) 2007-10-24 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-20070245501-A1 Agents for coloring keratin fibers comprising zwitterionic azomethine dyes KRT18, IK, RARG PABPC1 3524/4885EIF4H 4790/4885CTDSP1 4156/4885

“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.