SCHEMBL5707934

SCHEMBL5707934

C[N+](C)(CCC[Si](C)(C)C)CCN1CCCN(c2ccc(N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KDM4E B2RXH2 5/20 0.45
GAA P10253 4/20 0.45
GFER P55789 4/20 0.45
RAD52 P43351 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
ADRA2C P18825 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 2/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39

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
Hydrochloric Acid SCHEMBL5707923 0.99 MAPT (0.44) MAPTKDM4EGAAGFERRAD52
SCHEMBL6692925 0.86 KDM4E (0.53) MAPTKDM4EGAAGFERRAD52
SCHEMBL5707910 0.86 GAA (0.50) MAPTKDM4EGAARAD52ALDH1A1
Hydrochloric Acid SCHEMBL5707922 0.85 GAA (0.49) MAPTKDM4EGAARAD52ALDH1A1
SCHEMBL5707919 0.83 MAPT (0.49) MAPTKDM4EGAAGFERRAD52
Hydrochloric Acid SCHEMBL5707931 0.82 MAPT (0.48) MAPTKDM4EGAAGFERRAD52
SCHEMBL5707929 0.81 MAPT (0.55) MAPTKDM4EGAAGFERRAD52
Hydrochloric Acid SCHEMBL5707968 0.80 MAPT (0.54) MAPTKDM4EGAAGFERRAD52
SCHEMBL5707941 0.79 KDM4E (0.53) MAPTKDM4EGAAGFERRAD52
Hydrochloric Acid SCHEMBL5707957 0.78 KDM4E (0.51) MAPTKDM4EGAAGFERRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462445-B1 Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres OREAL (FR) 2006-10-18 EP claimed
US-20060123565-A9 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS SABELLE STEPHANE 2006-06-15 US claimed
US-20050066451-A1 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-03-31 US claimed
EP-1462445-B1 Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres OREAL (FR) 2006-10-18 EP disclosed
US-20060123565-A9 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS SABELLE STEPHANE 2006-06-15 US disclosed
US-20050066451-A1 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-03-31 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-20050066451-A1 Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers KRT18, VIM, DDAH1 MAPT 2832/4885KDM4E 1048/4885GAA 4321/4885
US-20060123565-A9 PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS KRT18, VIM, DDAH1 MAPT 2832/4885KDM4E 1048/4885GAA 4321/4885

“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.