SCHEMBL783352

SCHEMBL783352

N#Cc1cccc(-c2cccc(Br)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.53
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
GABRA1 P14867 1/20 0.47
IDO1 P14902 2/20 0.46
NOTUM Q6P988 1/20 0.46
MAOB P27338 1/20 0.46
PGR P06401 2/20 0.45
MAP4K4 O95819 1/20 0.44
PTPN5 P54829 1/20 0.44
ADRA2C P18825 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL21921980 0.98 CLK4 (0.52) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL16940443 0.90 CLK4 (0.43) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL26910409 0.90 CLK4 (0.52) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL29358412 0.87
SCHEMBL99039 0.87
Water SCHEMBL27994505 0.87 ENPP2 (0.48) CLK4IDO1MAOB
SCHEMBL2154026 0.87 CLK4 (0.65) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL30839882 0.86 CYP11B2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5553903 0.86 CYP11B2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3988152 0.86 CLK4 (0.52) CLK4GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790239-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2020-02-05 EP disclosed
EP-2790239-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2020-02-05 EP disclosed
US-10177312-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2019-01-08 US disclosed
US-10177312-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2019-01-08 US disclosed
WO-2017188597-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-11-02 WO disclosed
EP-2705550-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-07-05 EP disclosed
EP-2705550-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-07-05 EP disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-9530969-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-27 US disclosed
US-9530969-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-27 US disclosed
US-20130234119-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-09-12 US disclosed
EP-2602839-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2013-06-12 EP disclosed
WO-2012163465-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
WO-2012149999-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-08 WO disclosed
WO-2012149999-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-08 WO disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 CLK4 3404/4885GABRG2 2827/4885GABRB3 2812/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CLK4 4080/4885GABRG2 3049/4885GABRB3 1219/4885

“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.