SCHEMBL3936720

SCHEMBL3936720

COc1ccc(NN=Cc2ccc[n+](CCCCS(=O)(=O)[O-])c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
GAA P10253 7/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL3936718 1.00 KMT2A (0.40) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3934874 0.97 PABPC1 (0.41) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3934875 0.97 PABPC1 (0.41) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3936723 0.90 RAB9A (0.39) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3935327 0.89 FAAH (0.41) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3935333 0.89 FAAH (0.41) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3934086 0.87 NOX1 (0.46) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3934089 0.87 NOX1 (0.46) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3934881 0.87 RAB9A (0.40) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3938936 0.86 PABPC1 (0.44) KMT2AGAAMEN1MAPTKDM4E

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 13 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
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 KMT2A 385/4885GAA 4812/4885MEN1 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.