SCHEMBL6151434

SCHEMBL6151434

Cc1cc(N2CCN(c3ccc(N)c(C)c3)CCN(c3ccc(N)c(C)c3)CC2)ccc1N

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.77
RAD52 P43351 3/20 0.77
MAPT P10636 10/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.56
PTK2B Q14289 2/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
S100B P04271 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
ADRB1 P08588 1/20 0.50
LGMN Q99538 2/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL15358759 1.00 GAA (0.77) GAARAD52MAPTKDM4EMAPK1
SCHEMBL6266805 0.94 GAA (0.70) GAARAD52MAPTKDM4EMAPK1
SCHEMBL30191093 0.92 GAA (0.69) GAARAD52MAPTKDM4EMAPK1
SCHEMBL519972 0.92 GAA (0.69) GAARAD52MAPTKDM4EMAPK1
SCHEMBL6150891 0.92 GAA (0.69) GAARAD52MAPTKDM4EMAPK1
SCHEMBL6151809 0.92 GAA (0.69) GAARAD52MAPTKDM4EMAPK1
SCHEMBL2923577 0.92 GAA (0.67) GAARAD52MAPTKDM4EMAPK1
SCHEMBL7032717 0.92 GAA (0.67) GAARAD52MAPTKDM4EMAPK1
SCHEMBL6223137 0.90 GAA (0.65) GAARAD52MAPTKDM4EMAPK1
SCHEMBL6273294 0.90 GAA (0.65) GAARAD52MAPTKDM4EMAPK1

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed
EP-1518860-A1 Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres L'OREAL (FR) 2005-03-30 EP claimed
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP disclosed
EP-1409440-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2004-04-21 EP disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 GAA 4694/4885RAD52 553/4885MAPT 945/4885

“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.