SCHEMBL3934003

SCHEMBL3934003

Cc1sc(=NN=Cc2cc[n+](CCCCS(=O)(=O)O)cc2)n(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACHE P22303 3/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3935603 0.97 ACHE (0.34) MEN1KMT2AMAPTSMN1; SMN2APAF1
SCHEMBL3934932 0.90 MAPT (0.31) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3933999 0.90 MAPT (0.34) MEN1KMT2AMAPTSMN1; SMN2APAF1
SCHEMBL3933994 0.90 MAPT (0.34) MEN1KMT2AMAPTSMN1; SMN2APAF1
SCHEMBL3935209 0.87 MAPT (0.31) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3935589 0.86 PABPC1 (0.37) MEN1KMT2AMAPTSMN1; SMN2APAF1
SCHEMBL3935595 0.86 PABPC1 (0.37) MEN1KMT2AMAPTSMN1; SMN2APAF1
SCHEMBL3933201 0.84 MAPT (0.37) MEN1KMT2AMAPTSMN1; SMN2APAF1
SCHEMBL3938932 0.83 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL4104409 0.82

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

“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.