SCHEMBL2389599

SCHEMBL2389599

c1ccc(N(c2ccc3c(c2)Oc2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2O3)c2cccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.39
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
DHFR P00374 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12259300 1.00 SIGMAR1 (0.39) SIGMAR1CYP1A2CYP2C19L3MBTL1AHR
SCHEMBL18563220 0.92 SIGMAR1 (0.33) SIGMAR1CYP1A2CYP2C19L3MBTL1AHR
SCHEMBL3854692 0.91 SIGMAR1 (0.34) SIGMAR1AHR
SCHEMBL24277545 0.91 SIGMAR1 (0.36) SIGMAR1AHRKDM4E
SCHEMBL24277572 0.91 SIGMAR1 (0.36) SIGMAR1AHRKDM4E
SCHEMBL24277426 0.90 SIGMAR1 (0.33) SIGMAR1KDM4E
SCHEMBL16787258 0.89 SIGMAR1 (0.36) SIGMAR1CYP1A2CYP2C19L3MBTL1AHR
SCHEMBL24277624 0.87 KDM4E (0.34) SIGMAR1CYP1A2AHRKDM4E
SCHEMBL13507663 0.86 KDM4E (0.39) SIGMAR1CYP1A2CYP2C19KDM4E
SCHEMBL19588568 0.86 KDM4E (0.39) SIGMAR1CYP1A2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984079-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2020-07-01 EP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 US disclosed
CN-105189475-B Heterocyclic compounds and their use in electro-optical or opto-electronic devices 动力欧勒德斯有限公司 2018-12-21 CN disclosed
US-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2018-11-08 US disclosed
EP-2984079-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES Power Oleds Limited (GB) 2016-02-17 EP disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 US disclosed
WO-2014167286-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2014-10-16 WO disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-7605277-B2 N,N'-Di(1-naphthyl)-N,N'-diphenyl-2,6-diaminodibenzodioxin; organic electroelement hole-transporting layer, light-emitting material, a host materialor dopant in the light-emitting layer,a hole-blocking layer, an electron-transporting layer;high luminous efficiency; high heat resistance; durability NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-10-20 US disclosed
US-7605277-B2 N,N'-Di(1-naphthyl)-N,N'-diphenyl-2,6-diaminodibenzodioxin; organic electroelement hole-transporting layer, light-emitting material, a host materialor dopant in the light-emitting layer,a hole-blocking layer, an electron-transporting layer;high luminous efficiency; high heat resistance; durability NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-10-20 US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 US disclosed
US-20070129555-A1 Aminodibenzodioxin derivative and organic electroluminescent using the same NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129555-A1 Aminodibenzodioxin derivative and organic electroluminescent using the same NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2007-06-07 US 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-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 SIGMAR1 402/4885CYP1A2 296/4885CYP2C19 861/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 SIGMAR1 402/4885CYP1A2 296/4885CYP2C19 861/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 SIGMAR1 402/4885CYP1A2 296/4885CYP2C19 861/4885
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same ORC3, NAP1L4, NR4A2 SIGMAR1 1360/4885CYP1A2 1604/4885CYP2C19 2277/4885

“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.