SCHEMBL10725199

SCHEMBL10725199

CCCCn1nccc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
SLC9A1 P19634 2/20 0.40
TLR8 Q9NR97 3/20 0.38
NR1H3 Q13133 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MPO P05164 2/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL438493 0.94 KDM4E (0.46) KDM4EALDH1A1PKMSLC9A1TLR8
SCHEMBL15189572 0.92 KDM4E (0.44) KDM4EALDH1A1PKMSLC9A1TLR8
SCHEMBL2340816 0.88
Butyric Acid SCHEMBL28289188 0.86 MAPK1 (0.49) KDM4EALDH1A1
SCHEMBL6755827 0.83 KDM4E (0.57) KDM4EALDH1A1PKMPOLBKMT2A
SCHEMBL9442047 0.80 KDM4E (0.47) KDM4EALDH1A1PKMCYP1A2POLB
SCHEMBL27986966 0.80 KDM4E (0.47) KDM4EALDH1A1PKMPOLBKMT2A
SCHEMBL21960824 0.79 KDM4E (0.43) KDM4EALDH1A1PKMCYP1A2CYP2D6
Quinoline SCHEMBL27458348 0.78 ALDH1A1 (0.45) ALDH1A1SLC9A1TLR8CYP1A2CYP2C9
SCHEMBL13212232 0.78 SLC9A1 (0.41) KDM4EALDH1A1SLC9A1NR1H3CYP1A2

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 52 patents — showing the first 20. 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-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
US-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye 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-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
CN-101006087-A Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER (US) 2007-07-25 CN disclosed
CN-1993359-A Heterocycle -substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA SA (FR) 2007-07-04 CN disclosed
CN-1229099-C Use of reactive dyes for dyeing hair BASF AG (DE) 2005-11-30 CN disclosed
CN-1264284-A Application of reactive dye in hair dyeing BASF AG (DE) 2000-08-23 CN disclosed
US-4645838-A Pyrazolopyridine compounds, and intermediates, useful as anxiolytic agents ICI AMERICAS INC. (US) 1987-02-24 US disclosed
EP-0094175-B1 PYRAZOLOPYRIDINE COMPOUNDS ICI AMERICAS INC. (US) 1986-10-29 EP disclosed
US-4563525-A Process for preparing pyrazolopyridine compounds ICI AMERICAS INC. (US) 1986-01-07 US disclosed
US-4511568-A CNS-Depressant pyrazolopyridines ICI AMERICAS INC. (US) 1985-04-16 US disclosed
EP-0094175-A1 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-11-16 EP disclosed
US-4375467-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b] pyridines and their cardiotonic use STERLING DRUG INC. (US) 1983-03-01 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 KDM4E 637/4885ALDH1A1 228/4885PKM 4262/4885
US-10093807-B2 Stable yellow imidazolium compounds IK, NDUFV1, NDUFV2 KDM4E 2746/4885ALDH1A1 1345/4885PKM 1040/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 KDM4E 2746/4885ALDH1A1 1345/4885PKM 1040/4885

“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.