SCHEMBL2828217

SCHEMBL2828217

C=C(c1ccc(N(c2ccc(C(=C)c3ccccc3Br)cc2)c2ccc(C(=C)c3ccccc3Br)cc2)cc1)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.33
MIF P14174 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32

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
SCHEMBL10864320 0.82 MEN1 (0.46) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL31619553 0.79 ALDH1A1 (0.46) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4585193 0.78 KMT2A (0.47) MEN1KMT2AHPGDALDH1A1MAPK14
SCHEMBL4585877 0.78 KMT2A (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL8497069 0.77 NPC1 (0.41) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL11703047 0.76 MEN1 (0.63) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL9594468 0.76 MEN1 (0.34) MEN1KMT2AHPGDMIFALDH1A1
SCHEMBL2173024 0.76 ALDH1A1 (0.50) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL186055 0.74 MEN1 (0.67) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4587294 0.74 MEN1 (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957605-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
EP-1957603-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
EP-1817272-B1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2010-02-03 EP disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
EP-1957605-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
EP-1957603-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
US-20080125609-A1 Compounds for Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-05-29 US disclosed
EP-1817272-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2007065549-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
WO-2007065547-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
WO-2006058737-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2006-06-08 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 (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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM MEN1 3327/4885KMT2A 1866/4885HPGD 3189/4885
US-20080125609-A1 Compounds for Organic Electronic Devices PIEZO1, ETV6, OR10J3 MEN1 692/4885KMT2A 1679/4885HPGD 2460/4885

“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.