SCHEMBL6667536

SCHEMBL6667536

CC(O)Nc1ccc(N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.42
PTGS1 P23219 3/20 0.40
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
FYN P06241 1/20 0.35
FDPS P14324 2/20 0.34
FDFT1 P37268 1/20 0.34
FTO Q9C0B1 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL29581129 0.84 HCAR3 (0.53) HCAR3PTGS1ADRA2AADRA2BADRA2C
SCHEMBL13249613 0.84 HCAR3 (0.53) HCAR3PTGS1ADRA2AADRA2BADRA2C
SCHEMBL3738654 0.82 HCAR3 (0.40) HCAR3PTGS1ADRA2AADRA2BADRA2C
SCHEMBL2794101 0.80 HCAR3 (0.46) HCAR3PTGS1HCAR2FYNFTO
SCHEMBL7893408 0.80 HCAR3 (0.46) HCAR3PTGS1HCAR2FYNFTO
SCHEMBL2789758 0.80 HCAR3 (0.46) HCAR3PTGS1HCAR2FYNFTO
SCHEMBL6920479 0.78 RAB9A (0.53) HCAR3ADRA2AADRA2BADRA2CTP53
SCHEMBL4970731 0.78 HCAR3 (0.59) HCAR3PTGS1HCAR2FYNTP53
SCHEMBL2793492 0.78 HCAR3 (0.59) HCAR3PTGS1HCAR2FYNTP53
SCHEMBL13306216 0.77 DEGS1 (0.43) HCAR3HCAR2FDPSFDFT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2024-12-26 US claimed
EP-4408376-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2024-08-07 EP claimed
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 CN claimed
WO-2023054558-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2023-04-06 WO claimed
EP-4159184-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2023-04-05 EP claimed
EP-1250912-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-09-15 EP claimed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP claimed
EP-1250912-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP claimed
US-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2024-12-26 US disclosed
CN-118804737-A Dyeing composition in aqueous alcohol medium 花王株式会社 2024-10-18 CN disclosed
EP-4408376-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2024-08-07 EP disclosed
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 CN disclosed
WO-2023054558-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2023-04-06 WO disclosed
EP-4159184-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2023-04-05 EP disclosed
CN-111212627-B Powder composition comprising a hair substantive dye 花王株式会社 2023-02-17 CN disclosed
CN-114615967-A Two-component oxidation dyeing composition 花王株式会社 2022-06-10 CN disclosed
EP-1250912-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-09-15 EP disclosed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP disclosed
EP-1250912-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP 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 (1 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-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KRT18, COL14A1, COL1A1 HCAR3 2662/4885PTGS1 4323/4885ADRA2A 4545/4885

“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.