SCHEMBL3935503

SCHEMBL3935503

O=S(=O)(O)CCCC[n+]1ccc(C=NNc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.49
MAPT P10636 11/20 0.45
GAA P10253 10/20 0.45
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
RAB9A P51151 8/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 6/20 0.45
KDM4E B2RXH2 5/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
HSP90AA1 P07900 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 4/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL3945915 0.96 NOX1 (0.50) NOX1MAPTGAAKMT2AMEN1
SCHEMBL3943671 0.89 NOX1 (0.46) NOX1MAPTGAAKMT2AMEN1
SCHEMBL3935496 0.88 NOX1 (0.49) NOX1MAPTGAAKMT2AMEN1
SCHEMBL3935494 0.88 NOX1 (0.49) NOX1MAPTGAAKMT2AMEN1
SCHEMBL3937473 0.85 NOX1 (0.47) NOX1MAPTGAAKMT2AMEN1
SCHEMBL3935339 0.85 CYP1A2 (0.42) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL3944945 0.84 PABPC1 (0.52) NOX1MAPTGAAKMT2AMEN1
SCHEMBL3945910 0.84 PABPC1 (0.52) NOX1MAPTGAAKMT2AMEN1
SCHEMBL3938946 0.81 CYP1A2 (0.43) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL3939374 0.81 ACHE (0.39) NOX1MAPTGAAKMT2AMEN1

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 11 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
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 NOX1 1352/4885MAPT 3818/4885GAA 4812/4885

“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.