SCHEMBL5885564

SCHEMBL5885564

Cn1c(/N=N/c2ccc(N3CCCCC3)cc2)[n+](C)c2ccc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
GAA P10253 8/20 0.48
KMT2A Q03164 7/20 0.48
PKM P14618 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 3/20 0.48
RAD52 P43351 2/20 0.48
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
THRB P10828 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL5885568 1.00 MAPT (0.48) MAPTGAAKMT2APKMNPSR1
SCHEMBL5884855 0.99 MAPT (0.48) MAPTGAAKMT2APKMNPSR1
SCHEMBL5884858 0.99 MAPT (0.48) MAPTGAAKMT2APKMNPSR1
SCHEMBL5885416 0.90 MAPT (0.44) MAPTGAAKMT2APKMNPSR1
SCHEMBL5885420 0.90 MAPT (0.44) MAPTGAAKMT2APKMNPSR1
SCHEMBL5884789 0.89 MAPT (0.46) MAPTGAAKMT2APKMNPSR1
SCHEMBL5884792 0.89 MAPT (0.46) MAPTGAAKMT2APKMNPSR1
SCHEMBL5885444 0.86 MAPT (0.41) MAPTGAAKMT2APKMNPSR1
SCHEMBL5885446 0.86 MAPT (0.41) MAPTGAAKMT2APKMNPSR1
SCHEMBL5885614 0.84 MAPT (0.46) MAPTGAAKMT2APKMNPSR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101406-B2 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-09-05 US claimed
US-6824570-B2 CHROMATIC DIRECT DYES OF 2-AZO BENZIMIDAZOLE, BENZOTHIAZOLE OR BENZOXAOZLE DERIVATIVES L'OREAL S.A. (FR) 2004-11-30 US claimed
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2004-11-11 US claimed
EP-1428505-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic direct dye containing a heterocyclic group ; method and use L'OREAL (FR) 2004-06-16 EP claimed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 US claimed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 EP claimed
US-7101406-B2 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-09-05 US disclosed
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-06-01 US disclosed
US-6824570-B2 CHROMATIC DIRECT DYES OF 2-AZO BENZIMIDAZOLE, BENZOTHIAZOLE OR BENZOXAOZLE DERIVATIVES L'OREAL S.A. (FR) 2004-11-30 US disclosed
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2004-11-11 US disclosed
EP-1428505-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic direct dye containing a heterocyclic group ; method and use L'OREAL (FR) 2004-06-16 EP disclosed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 US disclosed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 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-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye KRT18, TUBB3, TUBB1 MAPT 468/4885GAA 4564/4885KMT2A 1055/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 MAPT 1195/4885GAA 4728/4885KMT2A 2191/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 MAPT 1195/4885GAA 4728/4885KMT2A 2191/4885

“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.