SCHEMBL5250737

SCHEMBL5250737

CCCCCCCCCCCCCC[N+](C)(C)C1CCN(c2ccc(N)c(C)c2)C1.CN(C)C(=N)N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.38
DPP4 P27487 7/20 0.34
LGMN Q99538 2/20 0.33
CDK1 P06493 2/20 0.31
CDK2 P24941 1/20 0.31
GRM2 Q14416 5/20 0.31
SKP2 Q13309 1/20 0.30

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
SCHEMBL2266252 0.91 GAA (0.45) GAARAD52DPP4LGMNCDK1
Hydrochloric Acid SCHEMBL2535818 0.90 GAA (0.44) GAARAD52DPP4LGMNCDK1
Hydrochloric Acid SCHEMBL6401046 0.90 GAA (0.44) GAARAD52DPP4LGMNCDK1
SCHEMBL5245686 0.87 GRM2 (0.37) GAARAD52DPP4GRM2
Hydrochloric Acid SCHEMBL6714585 0.87 GAA (0.42) GAARAD52DPP4LGMNCDK1
SCHEMBL2927410 0.87 RAD52 (0.46) GAARAD52DPP4LGMNCDK1
Hydrochloric Acid SCHEMBL6495337 0.86 RAD52 (0.45) GAARAD52DPP4LGMNCDK1
SCHEMBL13515142 0.84 GAA (0.40) GAARAD52DPP4LGMN
SCHEMBL12370012 0.84 RAD52 (0.43) GAARAD52DPP4LGMNCDK1
SCHEMBL2930438 0.84 RAD52 (0.47) GAARAD52DPP4LGMNCDK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 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 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 GAA 4728/4885RAD52 481/4885DPP4 2362/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 GAA 4728/4885RAD52 481/4885DPP4 2362/4885

“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.