SCHEMBL5885697

SCHEMBL5885697

CN1c2ccccc2N(C)C1N=Nc1ccc(N2CC(O)CC2C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
GAA P10253 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
ADRA2B P18089 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A4 P31645 1/20 0.32
CCR1 P32246 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SRD5A1 P18405 1/20 0.32
SRD5A2 P31213 1/20 0.32
MAPT P10636 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
SCHEMBL5885409 0.87 BACE1 (0.33) BACE1GAAMEN1KMT2ACNR1
SCHEMBL5884897 0.86 NPC1 (0.32) BACE1GAAMEN1KMT2ACNR1
SCHEMBL5885554 0.81 KMT2A (0.38) OGFRL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5885367 0.80 BRS3 (0.38) BACE1OGFRL1MEN1KMT2ASMN1; SMN2
SCHEMBL5885302 0.80 MAPT (0.33) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2899074 0.77 MEN1 (0.50) BACE1GAAOGFRL1MEN1KMT2A
SCHEMBL5884843 0.74 RORC (0.37)
SCHEMBL5885676 0.73 NOTUM (0.49) MEN1KMT2A
SCHEMBL5885683 0.72 KMT2A (0.50) BACE1GAAOGFRL1MEN1KMT2A
SCHEMBL5885673 0.72 KMT2A (0.50) BACE1GAAOGFRL1MEN1KMT2A

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 BACE1 3702/4885GAA 4564/4885OGFRL1 3864/4885
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 BACE1 3384/4885GAA 4728/4885OGFRL1 4342/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 BACE1 3384/4885GAA 4728/4885OGFRL1 4342/4885

“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.