SCHEMBL3936723

SCHEMBL3936723

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
NPC1 O15118 6/20 0.39
MEN1 O00255 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MITF O75030 1/20 0.39
KLF5 Q13887 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
GAA P10253 6/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL3934881 0.97 RAB9A (0.40) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3936718 0.90 KMT2A (0.40) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3936720 0.90 KMT2A (0.40) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3935339 0.89 CYP1A2 (0.42) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3943671 0.87 NOX1 (0.46) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3934874 0.87 PABPC1 (0.41) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3934875 0.87 PABPC1 (0.41) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3938946 0.86 CYP1A2 (0.43) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL3937473 0.84 NOX1 (0.47) RAB9AKMT2AMAPTNPC1MEN1
SCHEMBL4544042 0.83 HTT (0.36) RAB9AKMT2AMAPTMEN1KDM4E

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 11 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
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 RAB9A 1597/4885KMT2A 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.