SCHEMBL3643981

SCHEMBL3643981

Cc1ccc2sc(-c3ccc(C=O)cc3)[n+](C)c2c1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.42
▸ SNCA P37840 2/20 0.42
▸ TNF P01375 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ MAPT P10636 5/20 0.38
▸ THRB P10828 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ INSR P06213 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL3214133 0.99 APP (0.41) APPSNCATNFNOD1MEN1
SCHEMBL5067726 0.97 APP (0.40) APPSNCATNFNOD1MEN1
SCHEMBL5716206 0.94 APP (0.38) APPSNCATNFNOD1MEN1
SCHEMBL7049507 0.89 SMN1; SMN2 (0.45) APPSNCATNFNOD1MEN1
SCHEMBL4625707 0.86 SNCA (0.50) APPSNCATNFNOD1MEN1
SCHEMBL28755569 0.82 INSR (0.44) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL3217539 0.80 — —
SCHEMBL7050705 0.76 ALDH1A1 (0.47) APPSNCATNFNOD1MEN1
SCHEMBL2028552 0.76 SNCA (0.41) APPSNCATNFNOD1MEN1
SCHEMBL7049508 0.74 APP (0.33) APPSNCATNFNOD1MEN1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 — — EP claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 — — US claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 — — US claimed
WO-2007019931-A1 AGENT FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-22 — — WO claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 — — EP claimed
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections HENKEL KOMMANDITGESELLSCHAFT AUF AKLLEN (HENKEL KGAA) (DE) 2006-11-30 — — US claimed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 — — US claimed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 — — CN claimed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 — — US disclosed
EP-2180877-A2 LIGHTENING AGENTS WITH DELAYED BLEACHING ACTION Henkel AG & Co. KGaA (DE) 2010-05-05 — — EP disclosed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 — — US disclosed
WO-2009030517-A2 LIGHTENING AGENTS WITH DELAYED BLEACHING ACTION HENKEL AG & CO. KGAA (DE) 2009-03-12 — — WO disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 — — EP disclosed
WO-2005123019-A1 AGENTS FOR THE SIMULTANEOUS DYEING AND BLEACHING OF KERATIN-CONTAINING FIBERS HENKEL KOMMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 — — WO disclosed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 — — EP disclosed
WO-2005085089-A1 COSMETIC PORTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-09-15 — — WO disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 — — US disclosed
WO-2005027861-A1 AGENTS FOR REDUCING SCALP COLORING DURING HAIR COLORING PROCESSES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-31 — — WO disclosed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 — — WO 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 (5 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 APP 1675/4885SNCA 4365/4885TNF 950/4885
US-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 APP 2519/4885SNCA 4508/4885TNF 3978/4885
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections KRT18, CUTA, PLOD2 APP 959/4885SNCA 3045/4885TNF 2645/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 APP 2312/4885SNCA 3357/4885TNF 3574/4885
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 APP 3352/4885SNCA 3706/4885TNF 2220/4885

“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.

Send feedback