SCHEMBL5885575

SCHEMBL5885575

CN1c2ccc(N)cc2N(C)C1N=Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.44
ALDH1A1 P00352 8/20 0.44
GAA P10253 8/20 0.44
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HTT P42858 4/20 0.44
THRB P10828 3/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S100B P04271 2/20 0.40
PTK2B Q14289 2/20 0.40

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
SCHEMBL5884862 0.99 MAPT (0.42) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL5884801 0.88 ADRB1 (0.38) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL5885452 0.86 GAA (0.36) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL5885691 0.84 TP53 (0.39) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL5885723 0.84 ALDH1A1 (0.34) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL5885616 0.83 SLC2A1 (0.36) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL5885629 0.83 GAA (0.35) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL22477603 0.83 TP53 (0.40) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL5885352 0.83 TP53 (0.40) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL5885737 0.83 AR (0.35) MAPTALDH1A1GAAKMT2AKDM4E

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 16 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
CN-1410047-A Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2003-04-16 CN 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
CN-1245150-C Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2006-03-15 CN 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
CN-1410047-A Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2003-04-16 CN 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 468/4885ALDH1A1 2065/4885GAA 4564/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 MAPT 1195/4885ALDH1A1 1106/4885GAA 4728/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 MAPT 1195/4885ALDH1A1 1106/4885GAA 4728/4885

“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.