SCHEMBL3934820

SCHEMBL3934820

Cn1cc[n+](CCCCS(=O)(=O)[O-])c1C=NN=c1sc2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 5/20 0.46
NPC1 O15118 8/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3934813 1.00 MAPT (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3936786 0.97 MAPT (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3936792 0.97 MAPT (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3934825 0.91 NPC1 (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3936797 0.88 NPC1 (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3938925 0.84 KMT2A (0.55) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3938929 0.84 KMT2A (0.55) MAPTKMT2AMEN1NPC1RAB9A
Bromide SCHEMBL4452382 0.83 NPC1 (0.49) MAPTKMT2AMEN1NPC1RAB9A
Bromide SCHEMBL4452387 0.83 NPC1 (0.49) MAPTKMT2AMEN1NPC1RAB9A
Bromide SCHEMBL4452385 0.83 NPC1 (0.49) MAPTKMT2AMEN1NPC1RAB9A

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 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.