SCHEMBL19977078

SCHEMBL19977078

CC(C)(C)OC(=O)NCCCn1nccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
DRD2 P14416 5/20 0.45
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 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
SCHEMBL31646524 0.85 DRD2 (0.46) DYRK1ADRD2CA1CA2CA12
SCHEMBL25660895 0.85 KDM4E (0.33) DYRK1ADRD2CA1CA2CA12
SCHEMBL19984605 0.80 CSNK2A2 (0.35) DYRK1ADRD2CA1CA2CA12
SCHEMBL19970366 0.79 MAPK1 (0.41) MEN1KMT2A
SCHEMBL30861020 0.78 KDM4E (0.46) DRD2CA1CA2CA12CA9
SCHEMBL30861067 0.78 KDM4E (0.46) DRD2CA1CA2CA12CA9
SCHEMBL1630312 0.77 MAPK1 (0.50) DYRK1ADRD2TDP1STK17BSTK17A
SCHEMBL1630309 0.76 DRD2 (0.43) DRD2CA1CA2CA12CA9
SCHEMBL4782961 0.76 DRD2 (0.43) DYRK1ADRD2MEN1KMT2ACYP3A4
SCHEMBL31539458 0.76 NPC1 (0.50) MEN1KMT2ACYP3A4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512604-B1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE WELLA OPERATIONS US LLC (US) 2023-05-31 EP disclosed
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-9918919-B1 Method of coloring hair with washfast yellow imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-03-20 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 (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-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WASHC4, TYR, WASHC5 DYRK1A 887/4885DRD2 832/4885CA1 1121/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 DYRK1A 3503/4885DRD2 3593/4885CA1 4204/4885

“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.