SCHEMBL5836652

SCHEMBL5836652

Cc1cc(N2CCC(OCCN3CCCCC3)C2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
RAD52 P43351 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HTR2C P28335 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
VCP P55072 1/20 0.36
LGMN Q99538 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
S100B P04271 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL5837740 0.99 GAA (0.46) GAARAD52SMN1; SMN2NPC1HTR2C
SCHEMBL3641116 0.93 GAA (0.43) GAARAD52L3MBTL1HTTALDH1A1
SCHEMBL3639807 0.92 GAA (0.44) GAARAD52LGMNL3MBTL1HTT
SCHEMBL5836914 0.91 GAA (0.44) GAARAD52NPC1LIPGVCP
SCHEMBL5836844 0.91 GAA (0.48) GAARAD52NPC1LIPGVCP
SCHEMBL9715198 0.84 GAA (0.50) GAARAD52LIPGLGMNACACB
SCHEMBL3253263 0.83 RAD52 (0.46) GAARAD52LIPGLGMNMAPT
SCHEMBL5836967 0.83 LTA4H (0.45) GAARAD52SMN1; SMN2NPC1LIPG
SCHEMBL6839307 0.82 RAD52 (0.49) GAARAD52LGMNHTTMAPT
SCHEMBL5836188 0.82 LTA4H (0.46) GAARAD52SMN1; SMN2NPC1LIPG

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
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US claimed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 US claimed
EP-1378230-A1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres L'OREAL (FR) 2004-01-07 EP claimed
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US disclosed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 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 (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-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers KRT18, CDC73, VIM GAA 4385/4885RAD52 1089/4885SMN1; SMN2 4726/4885

“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.