SCHEMBL346299

SCHEMBL346299

COc1cccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.49
ELANE P08246 2/20 0.46
CYP1A2 P05177 1/20 0.43
MAOB P27338 2/20 0.43
MGLL Q99685 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CCKBR P32239 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 1/20 0.41
THRB P10828 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 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
SCHEMBL12156924 0.84 MAPT (0.41) TSPOMGLLMAPTSMN1; SMN2MEN1
SCHEMBL30952420 0.83 MAPT (0.45) TSPOMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL669186 0.83 MAPT (0.45) TSPOMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20714996 0.83 MGLL (0.44) MGLLMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8739926 0.81 KDM4E (0.57) CYP1A2MGLLMAPTSMN1; SMN2MEN1
SCHEMBL22894292 0.81 KDM4E (0.57) CYP1A2MGLLMAPTSMN1; SMN2MEN1
SCHEMBL5999407 0.80 MAPT (0.53) TSPOMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30018831 0.80 MAPT (0.53) TSPOMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18216935 0.80 MEN1 (0.48) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2235932 0.80 ALDH1A1 (0.48) ELANEMGLLMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2165377-B1 ORGANIC LIGHT-EMITTING DIODES CONTAINING CARBENE TRANSITION METAL COMPLEX EMITTERS AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES UDC IRELAND LTD (IE) 2021-04-28 EP disclosed
EP-3345983-B1 COMPOUNDS CONTAINING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S, S-DIOXIDES UDC IRELAND LTD (IE) 2020-08-26 EP disclosed
EP-3345983-A1 COMPOUNDS CONTAINING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S, S-DIOXIDES UDC Ireland Limited (IE) 2018-07-11 EP disclosed
EP-2173834-B1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS and DISILYLDIBENZOTHIOPHENES UDC IRELAND LTD (IE) 2018-02-14 EP disclosed
EP-2393819-B9 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2017-12-27 EP disclosed
EP-2393819-B1 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-01-25 EP disclosed
US-9458182-B2 Silyl- and heteroatom-substituted compounds selected from carbazoles, dibenzofurans, dibenzothiophenes and dibenzophospholes, and use thereof in organic electronics BASF SE (DE) 2016-10-04 US disclosed
US-8697255-B2 Organic light-emitting diodes comprising at least one disilyl compound selected from disilylcarbazoles, disilyldibenzofurans, disilyldibenzothiophenes, disilyldibenzopholes, disilyldibenzothiophene S-oxides and disilyldibenzothiophene S,S-dioxides BASF SE (DE) 2014-04-15 US disclosed
US-8373159-B2 Organic light-emitting diodes comprising carbene-transition metal complex emitter, and at least one compound selected from disilylcarbazoles, disilyldibenzofurans, disilyldibenzothiophenes, disilyldibenzophospholes, disilyldibenzothiophene s-oxides and disilyldibe BASF SE (DE) 2013-02-12 US disclosed
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-19 US disclosed
EP-2393819-A1 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2011-12-14 EP disclosed
US-20110031477-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2011-02-10 US disclosed
US-20100219403-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING CARBENE-TRANSITION METAL COMPLEX EMITTERS, AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2010-09-02 US disclosed
WO-2010079051-A1 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2010-07-15 WO disclosed
EP-2173834-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES Basf Se (DE) 2010-04-14 EP disclosed
EP-2165377-A1 ORGANIC LIGHT-EMITTING DIODES CONTAINING CARBENE TRANSITION METAL COMPLEX EMITTERS AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2010-03-24 EP disclosed
WO-2009003919-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2009-01-08 WO disclosed
WO-2009003898-A1 ORGANIC LIGHT-EMITTING DIODES CONTAINING CARBENE TRANSITION METAL COMPLEX EMITTERS AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2009-01-08 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 (3 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-20100219403-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING CARBENE-TRANSITION METAL COMPLEX EMITTERS, AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES DDT, GRIN2B, DRD1 TSPO 1248/4885ELANE 3792/4885CYP1A2 1304/4885
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 TSPO 4193/4885ELANE 3240/4885CYP1A2 1052/4885
US-20110031477-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES DDT, DDO, GRIN2B TSPO 1438/4885ELANE 3520/4885CYP1A2 1696/4885

“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.