SCHEMBL5885324

SCHEMBL5885324

CN(C)c1ccc2c(c1)n(C)c(N=Nc1ccc(N3CCCC3)cc1)[n+]2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 4/20 0.47
PKM P14618 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GAA P10253 2/20 0.47
RAD52 P43351 1/20 0.47
RAB9A P51151 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 3/20 0.35
SLC2A1 P11166 1/20 0.35
INSR P06213 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
ALPL P05186 1/20 0.33
ALPG P10696 1/20 0.33

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
SCHEMBL5885317 1.00 KMT2A (0.47) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5885614 0.99 MAPT (0.46) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5885609 0.99 MAPT (0.46) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5885223 0.92 MAPT (0.43) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5885226 0.92 MAPT (0.43) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5885423 0.91 MAPT (0.46) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5885430 0.91 MAPT (0.46) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5884908 0.87 MAPT (0.40) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5884906 0.87 MAPT (0.40) KMT2AMAPTMAPK1PKMNPSR1
SCHEMBL5885612 0.85 MAPT (0.38) KMT2AMAPTMAPK1PKMNPSR1

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 KMT2A 1055/4885MAPT 468/4885MAPK1 1531/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 KMT2A 2191/4885MAPT 1195/4885MAPK1 1294/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 KMT2A 2191/4885MAPT 1195/4885MAPK1 1294/4885

“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.