SCHEMBL94011

SCHEMBL94011

CN1CC=CN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD3 P35462 2/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 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
SCHEMBL14221066 0.81 F2 (0.40) GSK3AGSK3BNPC1RAB9AALDH1A1
SCHEMBL16361131 0.79 GSK3A (0.37) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL314022 0.76 MEN1 (0.37) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL16392767 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPK1HSD17B10
SCHEMBL28876828 0.74 MEN1 (0.35) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL17886081 0.74 MAPT (0.42) MEN1KMT2AADRA1DALDH1A1SMN1; SMN2
SCHEMBL25447139 0.71 LMNA (0.46) MEN1KMT2AOPRM1DRD3HTR2A
SCHEMBL16511350 0.71 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL94012 0.70 GSK3A (0.34) GSK3AGSK3BMEN1KMT2ANPC1
SCHEMBL28820783 0.69 MEN1 (0.33) MEN1KMT2ANPC1RAB9ACHRM2

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 458 patents — showing the first 20. 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-2658507-B1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2019-04-24 EP claimed
US-8613778-B2 Oxidative colouring composition KAO GERMANY GMBH (DE) 2013-12-24 US claimed
EP-2658507-A1 OXIDATIVE COLOURING COMPOSITION Kao Germany GmbH (DE) 2013-11-06 EP claimed
US-20130276811-A1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2013-10-24 US claimed
WO-2012089648-A1 OXIDATIVE COLOURING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2012-07-05 WO claimed
EP-2468241-A1 Oxidative colouring composition KPSS-Kao Professional Salon Services GmbH (DE) 2012-06-27 EP claimed
EP-1598047-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2011-11-30 EP claimed
US-20050257330-A1 Composition for coloring of keratin fibers KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US claimed
EP-1598047-A1 Composition for coloring of keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP claimed
EP-1250909-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-10-06 EP claimed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP claimed
EP-1250909-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP claimed
EP-3113753-B2 AQUEOUS OXIDIZING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2026-03-18 EP disclosed
EP-1250910-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250909-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 (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-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KRT18, COL14A1, COL1A1 GSK3A 1223/4885GSK3B 1158/4885MEN1 3715/4885
US-20130276811-A1 OXIDATIVE COLOURING COMPOSITION KRT18, MT-ND5, MT-CO1 GSK3A 1828/4885GSK3B 1944/4885MEN1 1787/4885
US-20050257330-A1 Composition for coloring of keratin fibers KRT18, MT-CO3, CYB5R3 GSK3A 3552/4885GSK3B 3069/4885MEN1 3464/4885

“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.