SCHEMBL3944261

SCHEMBL3944261

CN(N=Cc1cc[n+](CCCCS(=O)(=O)O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
APAF1 O14727 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 5/20 0.36
KDM4A O75164 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CHKA P35790 4/20 0.33
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL3936668 0.97 ACHE (0.37) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3946285 0.91 MEN1 (0.39) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3935432 0.90 MEN1 (0.40) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3933444 0.89 SMN1; SMN2 (0.34) MAPTSMN1; SMN2ACHEKDM4ELMNA
SCHEMBL3944256 0.89 PABPC1 (0.36) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3944258 0.89 PABPC1 (0.36) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3944019 0.88 MAPT (0.39) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3932531 0.87 ACHE (0.38) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3942922 0.87 MAPT (0.36) MAPTKMT2AMEN1APAF1HSP90AA1
SCHEMBL3935807 0.86 MEN1 (0.41) MAPTKMT2AMEN1APAF1HSP90AA1

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 MAPT 3818/4885KMT2A 385/4885MEN1 3437/4885

“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.