SCHEMBL5206554

SCHEMBL5206554

Cc1cc(N2CCCN(CCO)CC2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
RAD52 P43351 2/20 0.63
MAPT P10636 6/20 0.42
MAPK1 P28482 4/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
PTK2B Q14289 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
S100B P04271 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHKA P35790 1/20 0.40
IP6K1 Q92551 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL6152983 0.94 GAA (0.70) GAARAD52MAPTMAPK1HTT
SCHEMBL15803912 0.94 GAA (0.70) GAARAD52MAPTMAPK1HTT
SCHEMBL6151852 0.94 GAA (0.70) GAARAD52MAPTMAPK1HTT
SCHEMBL5203962 0.88 GAA (0.65) GAARAD52MAPTMAPK1HTT
SCHEMBL5707925 0.87 GAA (0.54) GAARAD52MAPTMAPK1HTT
SCHEMBL6151838 0.86 GAA (0.67) GAARAD52MAPTMAPK1HTT
Hydrochloric Acid SCHEMBL5707938 0.86 GAA (0.53) GAARAD52MAPTMAPK1HTT
SCHEMBL5707918 0.84 GAA (0.60) GAARAD52MAPTMAPK1HTT
SCHEMBL6266805 0.84 GAA (0.70) GAARAD52MAPTMAPK1HTT
SCHEMBL14180538 0.83 TLR9 (0.48) GAARAD52ALDH1A1KCNH2TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP claimed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US claimed
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical L'OREAL S.A. (FR) 2005-05-19 US claimed
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical L'OREAL S.A. (FR) 2005-05-19 US disclosed
EP-1417184-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2004-05-12 EP disclosed
WO-2003014093-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2003-02-20 WO 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-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical KRT18, HPD, PPOX GAA 4732/4885RAD52 542/4885MAPT 2115/4885

“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.