SCHEMBL94544

SCHEMBL94544

Nc1cnc(N)c(CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TKT P29401 9/20 0.38
ATR Q13535 1/20 0.33
USP7 Q93009 1/20 0.32
HSP90AA1 P07900 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
RRM2 P31350 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
SCHEMBL3184549 0.81 HRH1 (0.36) HTTKMT2ANOS3NOS1NOS2
SCHEMBL23245930 0.79 DHFR (0.38) USP7KMT2ANOS3NOS1NOS2
SCHEMBL3937827 0.76 TLR8 (0.40)
SCHEMBL11612846 0.76 AOC1 (0.35) HTTKMT2ANOS3NOS1NOS2
SCHEMBL529398 0.75 TAAR1 (0.35) NOS3NOS1NOS2
SCHEMBL21463652 0.75 HTR2A (0.33)
SCHEMBL2794197 0.75 LMNA (0.36) NOS3NOS1NOS2
SCHEMBL2422235 0.74 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL2794203 0.72 TLR7 (0.42) KMT2A
SCHEMBL28721642 0.71 GABRP (0.35) KMT2A

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 218 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 CN claimed
EP-1250912-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-09-15 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
EP-3568119-B2 LIQUID COMPOSITION COMPRISING HAIR DIRECT DYES AND ONE OR MORE DIOLS KAO GERMANY GMBH (DE) 2024-11-27 EP disclosed
EP-2658508-B2 TWO-PART HAIR COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2024-06-19 EP disclosed
EP-3427720-B1 AQUEOUS BLEACHING AND/OR DYEING COMPOSITION FOR KERATIN FIBERS, PROCESS, KIT AND USE THEREOF KAO GERMANY GMBH (DE) 2024-05-22 EP disclosed
US-20060174424-A1 Composition for dyeing human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-08-10 US disclosed
EP-1676605-A1 Product for hair dyeing KPSS-Kao Professional Salon Services GmbH (DE) 2006-07-05 EP disclosed
EP-1645264-A1 Product for hair dyeing in a two chamber aerosol can KPSS-Kao Professional Salon Services GmbH (DE) 2006-04-12 EP disclosed
EP-1632218-A1 Composition for dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2006-03-08 EP disclosed
EP-1627666-A1 Composition for dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2006-02-22 EP disclosed
US-20050257334-A1 Composition for dyeing keratin fibers KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
US-20050257331-A1 Composition for dyeing of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
EP-1598052-A1 Composition for bleaching and dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP disclosed
EP-1559403-A1 Composition for dyeing human hair KPSS-Kao Professional Salon Services GmbH (DE) 2005-08-03 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 (6 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-20060174424-A1 Composition for dyeing human hair CYB5R3, MT-ND5, COX5A TKT 1373/4885ATR 4174/4885USP7 1696/4885
US-20050257331-A1 Composition for dyeing of keratin fibres KRT18, KCNH3, MT-CO3 TKT 1588/4885ATR 3547/4885USP7 1242/4885
US-12508213-B2 Aqueous oxidizing composition comprising amino acids ALAD, SLC25A11, ALDH7A1 TKT 988/4885ATR 639/4885USP7 3328/4885
US-12403078-B2 Dyeing composition in aqueous-alcoholic medium KRT18, CYBA, S100B TKT 3352/4885ATR 3827/4885USP7 2795/4885
US-20050257334-A1 Composition for dyeing keratin fibers KRT18, H1-5, CYB5R3 TKT 1222/4885ATR 3524/4885USP7 1342/4885
US-20250161179-A1 DYEING COMPOSITION IN AQUEOUS-ALCOHOLIC MEDIUM KRT18, CYBA, S100B TKT 3352/4885ATR 3827/4885USP7 2795/4885

“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.