SCHEMBL94034

SCHEMBL94034

Nc1ccc(N(CCO)CCO)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.40
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
EGFR P00533 1/20 0.36
GBA1 P04062 4/20 0.35
AOC3 Q16853 2/20 0.35
POLB P06746 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
DRD2 P14416 1/20 0.30

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
SCHEMBL13273216 0.86 HCAR3 (0.41) HCAR3GBA1AOC3
SCHEMBL2790993 0.81 POLB (0.50) HCAR3ADRA2AADRA2BADRA2CEGFR
SCHEMBL3883305 0.81 HCAR3 (0.56) HCAR3GBA1AOC3CA12CA1
SCHEMBL15205756 0.77 GBA1 (0.61) HCAR3EGFRGBA1
SCHEMBL1984179 0.77 HCAR3 (0.37) HCAR3GBA1AOC3POLB
SCHEMBL2793295 0.76 GBA1 (0.60) HCAR3ADRA2AADRA2BADRA2CGBA1
SCHEMBL23620906 0.72 HRH3 (0.46) HCAR3ADRA2AADRA2BADRA2CGBA1
SCHEMBL29449725 0.72 HRH3 (0.46) HCAR3ADRA2AADRA2BADRA2CGBA1
SCHEMBL14927936 0.72 HCAR3 (0.47) HCAR3GBA1AOC3DRD2DRD3
SCHEMBL14658982 0.72 HSD17B10 (0.43) ADRA2AADRA2BADRA2CPOLBCA12

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 249 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-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
EP-3113753-B2 AQUEOUS OXIDIZING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2026-03-18 EP disclosed
US-12508213-B2 Aqueous oxidizing composition comprising amino acids KAO CORPORATION (JP) 2025-12-30 US disclosed
EP-4051219-B1 HAIR TREATMENT KIT COMPRISING AN AQUEOUS OXIDISING COMPOSITION COMPRISING AN AMINO ACID AND METHODS OF USE THEREOF KAO CORP (JP) 2025-12-24 EP disclosed
US-12403078-B2 Dyeing composition in aqueous-alcoholic medium KAO CORPORATION (JP) 2025-09-02 US disclosed
US-20250161179-A1 DYEING COMPOSITION IN AQUEOUS-ALCOHOLIC MEDIUM KAO CORPORATION (JP) 2025-05-22 US disclosed
EP-4486462-A1 DYEING COMPOSITION IN AQUEOUS-ALCOHOLIC MEDIUM Kao Corporation (JP) 2025-01-08 EP disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 US disclosed
EP-1250912-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-0507448-B1 Oxidative hair dyeing process with catalytic pretreatment BRISTOL MYERS SQUIBB CO (US) 1996-05-29 EP disclosed
US-5316551-A Kit including pretreatment solution of transition metal ion complexed with 2,2*-dipyridyl or o-phenanthroline; enhances dyeing efficiency; reduces damage to hair CLAIROL INCORPORATED (US) 1994-05-31 US disclosed
EP-0507448-A2 Oxidative hair dyeing process with catalytic pretreatment Bristol-Myers Squibb Company (US) 1992-10-07 EP disclosed
US-5100436-A Transition metal complex of 2,2*-dipyridine or 1,10-phenanthroline deposited on hair, reduced time for coloring CLAIROL INCORPORATED (US) 1992-03-31 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 (5 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-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C HCAR3 1460/4885ADRA2A 4479/4885ADRA2B 4379/4885
US-12508213-B2 Aqueous oxidizing composition comprising amino acids ALAD, SLC25A11, ALDH7A1 HCAR3 2104/4885ADRA2A 4800/4885ADRA2B 4734/4885
US-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KRT18, COL14A1, COL1A1 HCAR3 2662/4885ADRA2A 4545/4885ADRA2B 4275/4885
US-12403078-B2 Dyeing composition in aqueous-alcoholic medium KRT18, CYBA, S100B HCAR3 594/4885ADRA2A 3216/4885ADRA2B 397/4885
US-20250161179-A1 DYEING COMPOSITION IN AQUEOUS-ALCOHOLIC MEDIUM KRT18, CYBA, S100B HCAR3 594/4885ADRA2A 3216/4885ADRA2B 397/4885

“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.