SCHEMBL3934450

SCHEMBL3934450

CN(N=Cc1ccc[n+](CCCS(=O)(=O)[O-])c1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 3/20 0.31
ALOX12 P18054 2/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3934444 1.00 PABPC1 (0.37) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3933441 0.97 PABPC1 (0.34) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3933439 0.97 PABPC1 (0.34) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3936234 0.90 MEN1 (0.38) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3942739 0.90 PABPC1 (0.38) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3936236 0.90 MEN1 (0.38) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3942744 0.90 PABPC1 (0.38) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3934798 0.90 PABPC1 (0.44) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3934801 0.90 PABPC1 (0.44) PABPC1EIF4HCTDSP1SMN1; SMN2KDM4E
SCHEMBL3934454 0.89 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AGAALMNA

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 14 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
CN-101426471-A Agents for colouring keratin fibres comprising zwitterionic azomethine dyes WELLA AG (US) 2009-05-06 CN 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
CN-101426471-A Agents for colouring keratin fibres comprising zwitterionic azomethine dyes WELLA AG (US) 2009-05-06 CN 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.