SCHEMBL6604512

SCHEMBL6604512

CCn1c2ccccc2c2cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6CC)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HBB P68871 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPY5R Q15761 6/20 0.46
PTGES O14684 1/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 1/20 0.41
DRD3 P35462 1/20 0.41
TSPO P30536 1/20 0.41

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
SCHEMBL14728120 0.90 NPY5R (0.41) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL17194545 0.87 NPY5R (0.47) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL14728109 0.86 KDM1A (0.41) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL14728111 0.85 KDM4E (0.43) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL14466305 0.85 KDM4E (0.50) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL14119381 0.84 KDM4E (0.55) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL2368754 0.84 KDM4E (0.55) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL14728115 0.84 MAPT (0.40) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL13725082 0.82 L3MBTL1 (0.45) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL12242934 0.82 L3MBTL1 (0.45) KDM4EMAPTMEN1KMT2AHTT

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-20040185299-A1 Tertiary diamines containing heterocyclic groups and their use in organic electroluminescent devices CDT OXFORD LIMITED (GB) 2004-09-23 US disclosed
EP-1406983-A1 TERTIARY DIAMINES CONTAINING HETEROCYCLIC GROUPS AND THEIR USE IN ORGANIC ELECTROLUMINESCENT DEVICES CDT Oxford Limited (GB) 2004-04-14 EP disclosed
WO-2003008515-A1 TERTIARY DIAMINES CONTAINING HETEROCYCLIC GROUPS AND THEIR USE IN ORGANIC ELECTROLUMINESCENT DEVICES CDT OXFORD LIMITED (GB) 2003-01-30 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-20040185299-A1 Tertiary diamines containing heterocyclic groups and their use in organic electroluminescent devices AOC3, AOC1, NR4A1 KDM4E 3328/4885MAPT 4242/4885MEN1 3274/4885

“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.