SCHEMBL1454928

SCHEMBL1454928

O=S1(=O)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.64
CHEK1 O14757 2/20 0.51
PTPRC P08575 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 2/20 0.45
KCNH2 Q12809 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL29943511 1.00 GPR3 (0.64) GPR3CHEK1PTPRCMEN1KMT2A
SCHEMBL29726026 0.89 S100A4 (0.46) GPR3CHEK1PTPRCCA12CA9
SCHEMBL1326395 0.89 S100A4 (0.46) GPR3CHEK1PTPRCCA12CA9
SCHEMBL17322541 0.88 GPR3 (0.64) GPR3CHEK1PTPRCMEN1KMT2A
SCHEMBL30481783 0.88 GPR3 (0.64) GPR3CHEK1PTPRCMEN1KMT2A
SCHEMBL21832063 0.86 S100A4 (0.45) GPR3CHEK1PTPRCCA12CA9
SCHEMBL25990047 0.85 GPR3 (0.55) GPR3CHEK1MEN1KMT2AL3MBTL1
SCHEMBL25989992 0.82 ALDH1A1 (0.47) GPR3CHEK1PTPRCMEN1KMT2A
SCHEMBL25989968 0.82 ALDH1A1 (0.47) GPR3CHEK1PTPRCMEN1KMT2A
SCHEMBL20979980 0.81 GPR3 (0.46) GPR3PTPRCMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023152063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-17 WO disclosed
US-20160235869-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS THE JOHNS HOPKINS UNIVERSITY (US) 2016-08-18 US disclosed
US-9397301-B2 Sulfone group-containing compound, an organic light emitting diode (OLED) device having the same, and a method of fabricating the OLED device SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2016-07-19 US disclosed
US-9397301-B2 Sulfone group-containing compound, an organic light emitting diode (OLED) device having the same, and a method of fabricating the OLED device SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2016-07-19 US disclosed
US-20160111653-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111653-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20150357584-A1 A Sulfone Group-Containing Compound, An Organic Light Emitting Diode (OLED) Device Using The Same, and A Method of Fabricating the OLED Device SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2015-12-10 US disclosed
US-20150357584-A1 A Sulfone Group-Containing Compound, An Organic Light Emitting Diode (OLED) Device Using The Same, and A Method of Fabricating the OLED Device SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2015-12-10 US disclosed
US-8846661-B2 Diazahomoadamantane derivatives and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2443122-B1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-05 EP disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7838612-B2 Arylene fluorinated sulfonimide compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-23 US disclosed
US-20090136817-A1 ARYLENE FLUORINATED SULFONIMIDE POLYMERS AND MEMBRANES U.S. DEPARTMENT OF ENERGY 2009-05-28 US disclosed
US-20080214732-A1 PROCESS FOR THE PREPARATION OF ARYLENE FLUORINATED SULFONIMIDE POLYMERS AND MEMBRANES U.S. DEPARTMENT OF ENERGY 2008-09-04 US disclosed
US-20080177088-A1 ARYLENE FLUORINATED SULFONIMIDE COMPOSITIONS U.S. DEPARTMENT OF ENERGY 2008-07-24 US disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 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 (6 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-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 GPR3 142/4885CHEK1 1547/4885PTPRC 3010/4885
US-20080177088-A1 ARYLENE FLUORINATED SULFONIMIDE COMPOSITIONS FES, FLNA, FLNB GPR3 3308/4885CHEK1 1902/4885PTPRC 1539/4885
US-20150357584-A1 A Sulfone Group-Containing Compound, An Organic Light Emitting Diode (OLED) Device Using The Same, and A Method of Fabricating the OLED Device OCIAD1, SULT1A1, STARD10 GPR3 1163/4885CHEK1 2844/4885PTPRC 4550/4885
US-20160235869-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNB2, CHRNB3 GPR3 256/4885CHEK1 1984/4885PTPRC 3301/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 GPR3 120/4885CHEK1 1347/4885PTPRC 3270/4885
US-20160111653-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME PIEZO1, TMEM109, KCNN2 GPR3 4132/4885CHEK1 4705/4885PTPRC 2946/4885

“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.