SCHEMBL1146743

SCHEMBL1146743

CC1=C(O)C(=Nc2ccc(N(CCC[N+](C)(C)C)CCC[N+](C)(C)C)cc2)C=C(Nc2ccc(N(CCC[N+](C)(C)C)CCC[N+](C)(C)C)cc2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PABPC1 P11940 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12332894 1.00 APAF1 (0.32) APAF1L3MBTL1PABPC1MEN1NPC1
SCHEMBL1146949 0.86 PABPC1 (0.34) APAF1L3MBTL1PABPC1MEN1NPC1
SCHEMBL1146947 0.86 PABPC1 (0.34) APAF1L3MBTL1PABPC1MEN1NPC1
SCHEMBL1146276 0.85 APAF1 (0.34) APAF1L3MBTL1MEN1NPC1POLB
SCHEMBL12332897 0.85 APAF1 (0.34) APAF1L3MBTL1MEN1NPC1POLB
SCHEMBL12332898 0.83 BRCA1 (0.32) APAF1L3MBTL1
SCHEMBL1146323 0.78 APAF1 (0.46) APAF1L3MBTL1MEN1NPC1POLB
SCHEMBL12140930 0.78 APAF1 (0.46) APAF1L3MBTL1MEN1NPC1POLB
SCHEMBL1146325 0.78 APAF1 (0.46) APAF1L3MBTL1MEN1NPC1POLB
SCHEMBL12332660 0.76 SMN1; SMN2 (0.36) APAF1L3MBTL1PABPC1MEN1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8066782-B2 Azomethine direct dyes or reduced precursors of azomethine direct dyes obtained from 2-alkylresorcinols, and hair dyeing process using these dyes or precursors L'OREAL S.A. (FR) 2011-11-29 US claimed
EP-2231586-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS OREAL (FR) 2011-09-28 EP claimed
US-20110041263-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS L'OREAL S.A. (FR) 2011-02-24 US claimed
US-8066782-B2 Azomethine direct dyes or reduced precursors of azomethine direct dyes obtained from 2-alkylresorcinols, and hair dyeing process using these dyes or precursors L'OREAL S.A. (FR) 2011-11-29 US disclosed
EP-2231586-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS OREAL (FR) 2011-09-28 EP disclosed
US-20110041263-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS L'OREAL S.A. (FR) 2011-02-24 US 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-20110041263-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS KRT18, AKR1C4, AKR1C1 APAF1 3997/4885L3MBTL1 4867/4885PABPC1 3791/4885

“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.