SCHEMBL19949787

SCHEMBL19949787

CCCCCN1CCN(C(=O)C(F)(F)F)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
GPBAR1 Q8TDU6 3/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACHE P22303 1/20 0.36
PDF Q9HBH1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
FAAH O00519 1/20 0.36
HTR1A P08908 1/20 0.36
CES1 P23141 2/20 0.35
CDC25A P30304 1/20 0.35

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
SCHEMBL30688736 1.00 BRD4 (0.43) BRD4GPBAR1HDAC1HDAC6KDM4E
SCHEMBL1909835 0.80 CA12 (0.45) BRD4HDAC1HDAC6ALDH1A1CES1
SCHEMBL19949917 0.80 KDM4E (0.51) KDM4ELMNAKCNH2ALDH1A1ALDH2
SCHEMBL19949969 0.77 CNR2 (0.51) BRD4GPBAR1HDAC1HDAC6
SCHEMBL1908589 0.75 NOTUM (0.53) BRD4
SCHEMBL19981487 0.75 KDM4E (0.38) KDM4ELMNAKCNH2ACHEALDH1A1
SCHEMBL19949906 0.74 MEN1 (0.32) GPBAR1
SCHEMBL19949904 0.74 MEN1 (0.32) GPBAR1
SCHEMBL18702030 0.71 BRD4 (0.46) BRD4HDAC1HDAC6ALDH1A1
SCHEMBL566795 0.70 NOTUM (0.44) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512488-B1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES WELLA OPERATIONS US LLC (US) 2023-12-06 EP disclosed
EP-3512488-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES Noxell Corporation (US) 2019-07-24 EP disclosed
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-07-31 US disclosed
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-07-31 US disclosed
US-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-07-31 US disclosed
US-9982138-B2 Hair color compositions comprising stable violet-blue to blue imidazolium dyes NOXELL CORPORATION (US) 2018-05-29 US disclosed
US-9982138-B2 Hair color compositions comprising stable violet-blue to blue imidazolium dyes NOXELL CORPORATION (US) 2018-05-29 US disclosed
US-9982138-B2 Hair color compositions comprising stable violet-blue to blue imidazolium dyes NOXELL CORPORATION (US) 2018-05-29 US disclosed
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES WELLA OPERATIONS US, LLC 2018-04-19 US disclosed
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES WELLA OPERATIONS US, LLC 2018-04-19 US disclosed
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES WELLA OPERATIONS US, LLC 2018-04-19 US disclosed
WO-2018052725-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO disclosed
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
WO-2018052725-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO disclosed
WO-2018053034-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES NOXELL CORPORATION (US) 2018-03-22 WO disclosed
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY 2018-03-15 US disclosed
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY 2018-03-15 US disclosed
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY 2018-03-15 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 (4 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-10034823-B2 Method of coloring hair with washfast blue imidazolium direct dye compounds WASHC4, SHH, WASHC5 BRD4 51/4885GPBAR1 4229/4885HDAC1 92/4885
US-20180105697-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES IK, KRT18, CYBA BRD4 286/4885GPBAR1 4726/4885HDAC1 124/4885
US-20180072970-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS IK, NISCH, KRT18 BRD4 237/4885GPBAR1 4852/4885HDAC1 96/4885
US-20180078478-A1 Method of Coloring Hair with Washfast Blue Imidazolium Direct Dye Compounds WASHC4, SHH, WASHC5 BRD4 51/4885GPBAR1 4229/4885HDAC1 92/4885

“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.