SCHEMBL2840559

SCHEMBL2840559

N#CCC(=O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.48
THRB P10828 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 6/20 0.42
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9834290 0.92 TP53 (0.52) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9831045 0.92 MAPT (0.50) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9833791 0.92 THRB (0.45) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9833432 0.90 MAPT (0.44) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9832344 0.89 PIK3CD (0.43) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9833362 0.88 PTGS1 (0.43) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9835538 0.88 MAPT (0.51) TP53THRBMAPT
SCHEMBL9834001 0.88 MEN1 (0.48) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9832942 0.86 PTGS1 (0.44) TP53THRBPTGS1PTGS2MAPT
SCHEMBL9834278 0.85 TP53 (0.46) TP53MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
EP-2054012-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2009-05-06 EP claimed
US-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2008-12-11 US claimed
WO-2008028861-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2008-03-13 WO claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO claimed
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP disclosed
EP-2026754-B1 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO KGAA (DE) 2015-09-30 EP disclosed
EP-1944010-B1 Brightening and/or colouring agent with acrylic acid derivative(s) HENKEL AG & CO KGAA (DE) 2015-03-11 EP disclosed
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP disclosed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP disclosed
EP-2192957-A1 BRIGHTENING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND HYDROGEN PEROXIDE Henkel AG & Co. KGaA (DE) 2010-06-09 EP disclosed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO disclosed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 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 (2 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-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 TP53 1630/4885THRB 1080/4885PTGS1 2179/4885
US-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR TYR, CBR3, COXFA4L2 TP53 1463/4885THRB 3309/4885PTGS1 2823/4885

“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.