SCHEMBL5964548

SCHEMBL5964548

CCC(CNC1CCN(c2ccc(N)cc2)C1)NC1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
RAD52 P43351 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASR P41180 10/20 0.38
HRH4 Q9H3N8 3/20 0.37
MOGAT2 Q3SYC2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2C P18825 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
USP28 Q96RU2 1/20 0.35
USP25 Q9UHP3 1/20 0.35
NAMPT P43490 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL6504093 0.86 GAA (0.44) GAARAD52CASRHRH4USP28
SCHEMBL5964466 0.79 MAPT (0.44) GFERKDM4EGAAMAPTRAD52
SCHEMBL5924898 0.76 HRH4 (0.47) GFERKDM4EGAAMAPTRAD52
SCHEMBL6764157 0.74 MAPT (0.41) GFERKDM4EGAAMAPTRAD52
SCHEMBL6760036 0.74 CASR (0.41) GFERKDM4EGAAMAPTRAD52
SCHEMBL2636071 0.73 HRH4 (0.54) GFERKDM4EGAAMAPTHRH4
SCHEMBL22184436 0.73 HRH4 (0.54) GFERKDM4EGAAMAPTHRH4
SCHEMBL2636329 0.72 GFER (0.47) GFERKDM4EGAAMAPTRAD52
SCHEMBL15244613 0.71 GFER (0.44) GFERKDM4EGAAMAPTRAD52
SCHEMBL13380458 0.71 MAPT (0.54) GFERKDM4EGAAMAPTRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US claimed
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-07-01 US claimed
EP-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 EP claimed
EP-1674074-A1 Colored hair treating process with a composition comprising a specific non ionic and/or an amphoteric and/or a mild anionic surfactant and use to protect the coloration L'OREAL (FR) 2006-06-28 EP disclosed
US-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US disclosed
US-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-07-01 US disclosed
EP-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 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 (1 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-20040123401-A1 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres KRT18, VIM, CDC73 GFER 2322/4885KDM4E 532/4885GAA 4682/4885

“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.