SCHEMBL94534

SCHEMBL94534

CNc1ccc(N)c(NC)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.43
NUDT1 P36639 6/20 0.34
NNMT P40261 1/20 0.33
MAOB P27338 2/20 0.33
HTR6 P50406 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HCAR3 P49019 1/20 0.31

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
SCHEMBL13730208 0.79 GAA (0.44) NCF1KDM4ELMNACYP1A2CYP3A4
SCHEMBL24160900 0.79 NCF1 (0.45) NCF1NUDT1NNMTMAOBHTR6
SCHEMBL3942677 0.77 NCF1 (0.43) NCF1NUDT1NNMTMAOBHTR6
SCHEMBL4861825 0.77 NOS3 (0.38) NCF1KDM4ELMNANOS3NOS2
SCHEMBL5292836 0.76 HTR6 (0.33) HTR6KDM4ELMNA
SCHEMBL4636216 0.76 NCF1 (0.42) NCF1NUDT1NNMTMAOBHTR6
SCHEMBL29556882 0.76 SIRT2 (0.38) KDM4ELMNACYP1A2CYP3A4CYP2C19
SCHEMBL1502908 0.76 SIRT2 (0.38) KDM4ELMNACYP1A2CYP3A4CYP2C19
SCHEMBL31731416 0.76 HTR6 (0.33) HTR6KDM4ELMNA
SCHEMBL5631598 0.74 NCF1 (0.45) NCF1NUDT1MAOBKDM4EKCNH2

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 235 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-20050257331-A1 Composition for dyeing of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
US-20050257334-A1 Composition for dyeing keratin fibers 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
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 (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-20050257331-A1 Composition for dyeing of keratin fibres KRT18, KCNH3, MT-CO3 NCF1 3785/4885NUDT1 4097/4885NNMT 2265/4885
US-12508213-B2 Aqueous oxidizing composition comprising amino acids ALAD, SLC25A11, ALDH7A1 NCF1 3471/4885NUDT1 3031/4885NNMT 2229/4885
US-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KRT18, COL14A1, COL1A1 NCF1 2032/4885NUDT1 3384/4885NNMT 3549/4885
US-12403078-B2 Dyeing composition in aqueous-alcoholic medium KRT18, CYBA, S100B NCF1 3245/4885NUDT1 4520/4885NNMT 3598/4885
US-20050257334-A1 Composition for dyeing keratin fibers KRT18, H1-5, CYB5R3 NCF1 3594/4885NUDT1 4374/4885NNMT 1645/4885
US-20250161179-A1 DYEING COMPOSITION IN AQUEOUS-ALCOHOLIC MEDIUM KRT18, CYBA, S100B NCF1 3245/4885NUDT1 4520/4885NNMT 3598/4885

“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.