SCHEMBL1893467

SCHEMBL1893467

CC(C)(O)c1ccccc1-n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.42
MEN1 O00255 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DNM1 Q05193 5/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
KRAS P01116 2/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
PTGER4 P35408 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL27119982 0.89 TSPO (0.41) TSPOMEN1RAD52KMT2AALDH1A1
SCHEMBL27890474 0.87 TSPO (0.35) TSPOMEN1KMT2AALDH1A1MAPT
SCHEMBL2556764 0.87 SLC22A12 (0.38) TSPOMEN1RAD52KMT2AALDH1A1
SCHEMBL2228899 0.87 ALDH1A1 (0.34) TSPOMEN1KMT2AALDH1A1DNM1
SCHEMBL11926705 0.87 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12166092 0.86 KRAS (0.35) TSPOMEN1KMT2AALDH1A1MAPT
SCHEMBL12166087 0.85 ACHE (0.35) TSPOMEN1KMT2AALDH1A1MAPT
SCHEMBL12166118 0.85 TSPO (0.38) TSPOMEN1RAD52KMT2AALDH1A1
SCHEMBL1894782 0.85 TSPO (0.38) TSPOMEN1RAD52KMT2AALDH1A1
SCHEMBL12166093 0.84 DDB1 (0.33) TSPOALDH1A1MAPTSLC22A12SMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708262-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-07-18 US disclosed
US-9708262-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-07-18 US disclosed
US-9708262-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-07-18 US disclosed
US-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-20150340613-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340613-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340613-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-9133119-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2015-09-15 US disclosed
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
CN-102725268-A Compounds for electronic devices MERCK PATENT GMBH 2012-10-10 CN disclosed
US-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-09-13 US disclosed
US-20120202997-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-08-09 US disclosed
CN-102612518-A Nitrogen-containing condensed heterocyclic compounds for oleds MERCK PATENT GMBH 2012-07-25 CN disclosed
WO-2011128017-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-10-20 WO disclosed
WO-2011128017-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-10-20 WO disclosed
WO-2011088877-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-07-28 WO disclosed
WO-2011060867-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH (DE) 2011-05-26 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 (4 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-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS OCIAD2, OCIAD1, ODC1 TSPO 2385/4885MEN1 1948/4885RAD52 1704/4885
US-20150340613-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO4C1, SLCO1A2, SLCO2A1 TSPO 798/4885MEN1 575/4885RAD52 2231/4885
US-20120202997-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, L1CAM, OR10J3 TSPO 1784/4885MEN1 470/4885RAD52 1995/4885
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO4C1, SLCO1A2, SLCO2A1 TSPO 798/4885MEN1 575/4885RAD52 2231/4885

“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.