SCHEMBL5696458

SCHEMBL5696458

COc1cc2nc3cc(N)ccc3nc2cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.53
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 4/20 0.44
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 2/20 0.44
F2 P00734 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
ACHE P22303 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL31355401 1.00 NQO2 (0.53) NQO2KMT2AMEN1MAPTPOLB
SCHEMBL5696548 0.87 NQO2 (0.56) NQO2KMT2AMEN1MAPTPOLB
SCHEMBL29922921 0.87 NQO2 (0.56) NQO2KMT2AMEN1MAPTPOLB
SCHEMBL6936814 0.81 KMT2A (0.48) NQO2KMT2AMEN1MAPTPOLB
SCHEMBL3480837 0.78 KMT2A (0.67) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL4586206 0.78 KMT2A (0.67) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL29922808 0.78 KMT2A (0.67) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL11203601 0.77 POLB (0.47) NQO2KMT2AMEN1MAPTPOLB
Hydrochloric Acid SCHEMBL7566148 0.76 KMT2A (0.64) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL14137596 0.76 APAF1 (0.64) NQO2KMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891182-B1 ENZYME ASSISTED DYEING OF KERATINOUS FIBRES NOVOZYMES AS (DK) 2001-11-14 EP claimed
EP-0863950-B1 HAIR DYEING COMPOSITION NOVOZYMES AS (DK) 2001-10-10 EP claimed
EP-0865465-B1 LACCASES WITH IMPROVED DYEING PROPERTIES NOVOZYMES AS (DK) 2001-05-30 EP claimed
EP-0865465-A1 LACCASES WITH IMPROVED DYEING PROPERTIES NOVO NORDISK A/S (DK) 1998-09-23 EP claimed
WO-1997019999-A1 LACCASES WITH IMPROVED DYEING PROPERTIES NOVO NORDISK A/S (DK) 1997-06-05 WO claimed
EP-0973875-B1 STORAGE-STABLE LIQUID FORMULATION COMPRISING A LACCASE NOVOZYMES AS (DK) 2006-06-14 EP disclosed
EP-1137391-B1 METHOD FOR TREATING HAIR NOVOZYMES AS (DK) 2004-11-03 EP disclosed
US-6667167-B1 Containing a polyalcohol such as a polyoxyalkylene glycol or ether, and a mono-, di-, oligo- or polysaccharides; pH that is more alkaline than the pH optimum of the laccase. NOVOZYMES A/S (DK) 2003-12-23 US disclosed
US-6572843-B1 Combining permanent dyeing and straightening; applying to reduced hair an oxidizing enzyme (Laccase), a mediator, and a chemical oxidizing agent that produces hydrogen peroxide NOVOZYMES, A/S (DK) 2003-06-03 US disclosed
EP-1076494-B1 RE-FORMATION OF KERATINOUS FIBRE CROSS LINKS NOVOZYMES AS (DK) 2002-09-18 EP disclosed
US-20020007524-A1 Contacting fibers in a dry state with an oxidoreductase and a dye precursor; reduced hair damage NOVOZYMES A/S (DK) 2002-01-24 US disclosed
EP-0891182-B1 ENZYME ASSISTED DYEING OF KERATINOUS FIBRES NOVOZYMES AS (DK) 2001-11-14 EP disclosed
US-5948121-A PERMANENT DYEING OF KERATINOUS FIBERS. LACCASE DERIVED FROM A STRAIN OF THE GENUS MYCELIOPHTHORA NOVO NORDISK A/S (DK) 1999-09-07 US disclosed
US-5899212-A CLEAVAGE OF DISULFIDE BONDS, OXIDOREDUCTASE NOVO NORDISK A/S (DK) 1999-05-04 US disclosed
WO-1999015137-A1 ENZYMATIC FOAM COMPOSITIONS FOR DYEING KERATINOUS FIBRES NOVO NORDISK A/S (DK) 1999-04-01 WO disclosed
EP-0891182-A1 AN ENZYME FOR DYEING KERATINOUS FIBRES NOVO NORDISK A/S (DK) 1999-01-20 EP disclosed
EP-0865465-A1 LACCASES WITH IMPROVED DYEING PROPERTIES NOVO NORDISK A/S (DK) 1998-09-23 EP disclosed
WO-1998040471-A1 STORAGE-STABLE LIQUID FORMULATION COMPRISING A LACCASE NOVO NORDISK A/S (DK) 1998-09-17 WO disclosed
WO-1997037633-A1 AN ENZYME FOR DYEING KERATINOUS FIBRES NOVO NORDISK A/S (DK) 1997-10-16 WO disclosed
WO-1997019999-A1 LACCASES WITH IMPROVED DYEING PROPERTIES NOVO NORDISK A/S (DK) 1997-06-05 WO 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 (1 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-20020007524-A1 Contacting fibers in a dry state with an oxidoreductase and a dye precursor; reduced hair damage KRT18, CYB5R3, ADH7 NQO2 94/4885KMT2A 3088/4885MEN1 4857/4885

“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.