SCHEMBL5885334

SCHEMBL5885334

CN(C)c1ccc2c(c1)N(C)C(N=Nc1ccc(N3CCCC3)cc1)N2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
CHKA P35790 1/20 0.32
S100B P04271 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
NPC1 O15118 2/20 0.31
ALOX15 P16050 2/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5885616 0.99 SLC2A1 (0.36) SLC2A1CHKAS100BALDH1A1HSD17B10
SCHEMBL5885435 0.90 ADRB1 (0.37) SLC2A1ALDH1A1MAPTLMNAHPGD
SCHEMBL5884912 0.87 SMPD3 (0.33) SLC2A1LMNA
SCHEMBL5885623 0.85 SYK (0.33)
SCHEMBL5885470 0.85 AR (0.34) SLC2A1
SCHEMBL5885525 0.85 KHK (0.32) SLC2A1
SCHEMBL5885674 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPK1MAPTMEN1
SCHEMBL5884862 0.83 MAPT (0.42) S100BALDH1A1HSD17B10TDP1MAPK1
SCHEMBL5885352 0.82 TP53 (0.40) ALDH1A1HSD17B10TSHRMAPTMEN1
SCHEMBL22477603 0.82 TP53 (0.40) ALDH1A1HSD17B10TSHRMAPTMEN1

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 SLC2A1 4794/4885CHKA 406/4885S100B 255/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 SLC2A1 4812/4885CHKA 484/4885S100B 235/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 SLC2A1 4812/4885CHKA 484/4885S100B 235/4885

“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.