SCHEMBL5836840

SCHEMBL5836840

Cc1cc(-n2ccc(N3CCCN(C)CC3)c2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
RAD52 P43351 1/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
PTK2B Q14289 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 2/20 0.43
ADRA2C P18825 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
ESR2 Q92731 1/20 0.42
CHKA P35790 2/20 0.42
NCF1 P14598 1/20 0.40
SIRT6 Q8N6T7 2/20 0.39
HRH4 Q9H3N8 3/20 0.37
MEN1 O00255 1/20 0.36
S100B P04271 1/20 0.36

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
SCHEMBL5836993 0.95 MAPT (0.51) GAARAD52MAPTKDM4EPTK2B
SCHEMBL5836614 0.88 GAA (0.49) GAARAD52MAPTKDM4EPTK2B
SCHEMBL5203985 0.86 GAA (0.61) GAARAD52MAPTKDM4EPTK2B
SCHEMBL5836942 0.82 MAPT (0.60) GAARAD52MAPTKDM4EPTK2B
SCHEMBL30191093 0.80 GAA (0.69) GAARAD52MAPTKDM4EPTK2B
SCHEMBL6151809 0.80 GAA (0.69) GAARAD52MAPTKDM4EPTK2B
SCHEMBL6150891 0.80 GAA (0.69) GAARAD52MAPTKDM4EPTK2B
SCHEMBL519972 0.80 GAA (0.69) GAARAD52MAPTKDM4EPTK2B
SCHEMBL6266805 0.79 GAA (0.70) GAARAD52MAPTKDM4EPTK2B
SCHEMBL7032717 0.77 GAA (0.67) GAARAD52MAPTKDM4EPTK2B

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 3 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
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

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 1089/4885MAPT 1211/4885

“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.