SCHEMBL5885567

SCHEMBL5885567

CN1c2ccccc2N(C)C1N=Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.46
HTR3E A5X5Y0 5/20 0.46
HTR3B O95264 5/20 0.46
HTR3A P46098 5/20 0.46
HTR3D Q70Z44 5/20 0.46
HTR3C Q8WXA8 5/20 0.46
SIGMAR1 Q99720 5/20 0.46
LTA4H P09960 1/20 0.42
HTR6 P50406 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR5A P47898 1/20 0.40
DRD2 P14416 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR7 P34969 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL22477603 0.87 TP53 (0.40) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL5885352 0.87 TP53 (0.40) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL5885691 0.86 TP53 (0.39) USP2ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL5884801 0.85 ADRB1 (0.38) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5885435 0.83 ADRB1 (0.37) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5885514 0.78 NAMPT (0.40) HTR6USP2DRD2
SCHEMBL5884843 0.78 RORC (0.37)
SCHEMBL5885250 0.76 RORC (0.39) ALDH1A1MAPT
SCHEMBL5885436 0.76 PTPN1 (0.40) SIGMAR1HTR6ALDH1A1DRD3MAPT
SCHEMBL5884862 0.73 MAPT (0.42) USP2ALDH1A1HSD17B10LMNAMAPT

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 17 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
CN-1245150-C Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2006-03-15 CN 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.