SCHEMBL19970387

SCHEMBL19970387

CCCCCCn1ncc(N=Nc2nccn2CCCNC(=O)C(F)(F)F)c1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
TLR8 Q9NR97 2/20 0.35
POLB P06746 1/20 0.31
DRD2 P14416 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL19970383 1.00 EPHX1 (0.39) EPHX1TLR8POLBDRD2HRH2
SCHEMBL19970373 0.89 TLR8 (0.38) TLR8POLB
SCHEMBL19970370 0.89 TLR8 (0.38) TLR8POLB
SCHEMBL19975877 0.89 TLR8 (0.38) TLR8POLB
SCHEMBL19977079 0.86 CSNK2A2 (0.36) TLR8DRD2
SCHEMBL19970390 0.83 POLB (0.32) TLR8POLB
SCHEMBL19970384 0.83 POLB (0.32) TLR8POLB
Bromide SCHEMBL19970379 0.82 EPHX1 (0.37) EPHX1
Bromide SCHEMBL19970376 0.82 EPHX1 (0.37) EPHX1
Bromide SCHEMBL19970432 0.81 EPHX1 (0.36) EPHX1

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 7 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
EP-3512604-A1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE Noxell Corporation (US) 2019-07-24 EP disclosed
US-10093807-B2 Stable yellow imidazolium compounds NOXELL CORPORATION (US) 2018-10-09 US disclosed
WO-2018053027-A1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE NOXELL CORPORATION (US) 2018-03-22 WO 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 (3 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 EPHX1 1896/4885TLR8 3142/4885POLB 1492/4885
US-10093807-B2 Stable yellow imidazolium compounds IK, NDUFV1, NDUFV2 EPHX1 4558/4885TLR8 3446/4885POLB 1469/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 EPHX1 4558/4885TLR8 3446/4885POLB 1469/4885

“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.