SCHEMBL93693

SCHEMBL93693

COCC(N)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TACR1 P25103 3/20 0.40
SCN4A P35499 9/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC2A1 P11166 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL16334289 0.81 AOC3 (0.44) CYP1A2CYP2D6CYP2C19SCN4ASLC6A4
SCHEMBL5462262 0.81 SCN4A (0.53) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL8470594 0.81 ESR1 (0.43) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL7770297 0.81 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL4578371 0.81 AOC3 (0.44) CYP1A2CYP2D6CYP2C19SCN4ASLC6A4
SCHEMBL2415110 0.81 AOC3 (0.44) CYP1A2CYP2D6CYP2C19SCN4ASLC6A4
SCHEMBL16563617 0.81 DPP4 (0.41) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL8667494 0.81 ESR1 (0.43) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL5460859 0.81 SCN4A (0.53) CYP1A2CYP2D6CYP2C19TACR1SCN4A
SCHEMBL26648414 0.81 DPP4 (0.41) CYP1A2CYP2D6CYP2C19TACR1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1598049-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2008-08-06 EP claimed
EP-1250908-B1 Hair dye KPSS KAO GMBH (DE) 2007-03-14 EP claimed
US-20050257332-A1 Composition for coloring of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US claimed
EP-1598049-A1 Composition for coloring of keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP claimed
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
EP-3427719-B1 AQUEOUS BLEACHING AND DYEING COMPOSITION FOR KERATIN FIBERS, PROCESS, KIT AND USE THEREOF KAO GERMANY GMBH (DE) 2024-03-06 EP disclosed
EP-2658513-B2 HAIR COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2023-11-29 EP disclosed
US-20050210606-A1 Pre-treatment composition for oxidative coloring keratin fibres and process therefore KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-09-29 US disclosed
EP-1559403-A1 Composition for dyeing human hair KPSS-Kao Professional Salon Services GmbH (DE) 2005-08-03 EP disclosed
CN-1177967-C Enzymatic method for textile dyeing ŵ����÷�����޹�˾ 2004-12-01 CN disclosed
EP-1457197-A1 Composition for dyeing human hair KPSS-Kao Professional Salon Services GmbH (DE) 2004-09-15 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-20050257332-A1 Composition for coloring of keratin fibres KRT18, CBR3, CYC1 CYP1A2 537/4885CYP2D6 309/4885CYP2C19 1598/4885
US-20130276811-A1 OXIDATIVE COLOURING COMPOSITION KRT18, MT-ND5, MT-CO1 CYP1A2 973/4885CYP2D6 788/4885CYP2C19 1639/4885
US-20050210606-A1 Pre-treatment composition for oxidative coloring keratin fibres and process therefore KRT18, ADH1B, ADH4 CYP1A2 149/4885CYP2D6 54/4885CYP2C19 342/4885

“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.