SCHEMBL5884801

SCHEMBL5884801

CN1c2ccc(N)cc2N(C)C1N=Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.38
HTR3E A5X5Y0 4/20 0.36
HTR3B O95264 4/20 0.36
HTR3A P46098 4/20 0.36
HTR3D Q70Z44 4/20 0.36
HTR3C Q8WXA8 4/20 0.36
SIGMAR1 Q99720 4/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
GFER P55789 2/20 0.35
ADRA2C P18825 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2B Q14289 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 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
SCHEMBL5884862 0.89 MAPT (0.42) MAPTALDH1A1KDM4EGAAGFER
SCHEMBL5885575 0.88 MAPT (0.44) MAPTALDH1A1KDM4EGAAGFER
SCHEMBL5885567 0.85 ADRB1 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5885435 0.84 ADRB1 (0.37) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5885723 0.82 ALDH1A1 (0.34) MAPTALDH1A1KDM4EGAAGFER
SCHEMBL5885737 0.81 AR (0.35) MAPTALDH1A1KDM4EGAAGFER
SCHEMBL5885452 0.79 GAA (0.36) MAPTALDH1A1KDM4EGAAGFER
SCHEMBL5885629 0.79 GAA (0.35) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL5885657 0.76 GFER (0.32) GFER
SCHEMBL5884854 0.76 KDM4E (0.41) ALDH1A1KDM4EGAAKMT2AHSD17B10

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 ADRB1 3120/4885HTR3E 2552/4885HTR3B 2310/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 ADRB1 3395/4885HTR3E 2230/4885HTR3B 1860/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 ADRB1 3395/4885HTR3E 2230/4885HTR3B 1860/4885

“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.