SCHEMBL3935339

SCHEMBL3935339

COc1ccc(NN=Cc2cc[n+](CCCCS(=O)(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 5/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MITF O75030 1/20 0.40
KLF5 Q13887 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 5/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL3938946 0.97 CYP1A2 (0.43) CYP1A2KMT2ASMN1; SMN2POLBFAAH
SCHEMBL3936723 0.89 RAB9A (0.39) CYP1A2KMT2ASMN1; SMN2POLBFAAH
SCHEMBL3935333 0.89 FAAH (0.41) CYP1A2KMT2ASMN1; SMN2POLBFAAH
SCHEMBL3935327 0.89 FAAH (0.41) CYP1A2KMT2ASMN1; SMN2POLBFAAH
SCHEMBL3934881 0.86 RAB9A (0.40) CYP1A2KMT2ASMN1; SMN2POLBFAAH
SCHEMBL3938939 0.85 PABPC1 (0.44) CYP1A2KMT2ASMN1; SMN2POLBFAAH
SCHEMBL3938936 0.85 PABPC1 (0.44) CYP1A2KMT2ASMN1; SMN2POLBFAAH
SCHEMBL3935503 0.85 NOX1 (0.49) KMT2ASMN1; SMN2POLBMEN1MAPT
SCHEMBL3945915 0.81 NOX1 (0.50) KMT2ASMN1; SMN2POLBMEN1MAPT
SCHEMBL3933980 0.81 KDM4E (0.43) KMT2APOLBMEN1MAPTNPC1

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 CYP1A2 3490/4885KMT2A 385/4885SMN1; SMN2 4303/4885

“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.