SCHEMBL3934825

SCHEMBL3934825

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.44
MAPT P10636 10/20 0.44
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 8/20 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
KMT2A Q03164 8/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL3936797 0.97 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3934820 0.91 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3934813 0.91 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3936792 0.88 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3936786 0.88 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
Bromide SCHEMBL4452382 0.85 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
Bromide SCHEMBL4452387 0.85 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
Bromide SCHEMBL4452385 0.85 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3938932 0.84 KMT2A (0.53) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4104409 0.83

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 NPC1 4870/4885MAPT 3818/4885RAB9A 1597/4885

“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.