SCHEMBL2028512

SCHEMBL2028512

CC(=O)C=CC=Cc1ccc(N(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.71
HDAC4 P56524 2/20 0.71
HDAC1 Q13547 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC2 Q92769 2/20 0.71
HDAC10 Q969S8 2/20 0.71
HDAC11 Q96DB2 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
APP P05067 5/20 0.66
HSD17B3 P37058 1/20 0.62
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TLR9 Q9NR96 1/20 0.51
MAPT P10636 4/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL2028511 1.00 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3732489 0.87 HSD17B3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2029091 0.87 HSD17B3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL560170 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL560171 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27735435 0.84 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11318709 0.84 HSD17B3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11318713 0.84 HSD17B3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11152099 0.83 TLR9 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11876857 0.82 APP (0.95) HDAC3HDAC4HDAC1HDAC7HDAC2

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 225 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-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-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1909913-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-04-16 EP claimed
WO-2008028861-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2008-03-13 WO claimed
EP-1789015-A1 METHOD FOR STYLISHLY CHANGING THE COLOR OF KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2007019931-A1 AGENT FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-22 WO claimed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US claimed
WO-2005051336-A1 METHOD FOR DYEING FIBRES CONTAINING KERATINE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-06-09 WO claimed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
WO-2004058200-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1433469-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed

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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 HDAC3 411/4885HDAC4 387/4885HDAC1 348/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 HDAC3 1000/4885HDAC4 1112/4885HDAC1 825/4885

“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.