SCHEMBL8022202

SCHEMBL8022202

Clc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.69
ESR1 P03372 2/20 0.63
ESR2 Q92731 2/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
LMNA P02545 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 1/20 0.60
GRIA1 P42261 1/20 0.57
CACNG8 Q8WXS5 1/20 0.57
CACNG2 Q9Y698 1/20 0.57
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
AOC3 Q16853 2/20 0.55
KCNH2 Q12809 1/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPKAPK2 P49137 1/20 0.52

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
SCHEMBL8024755 0.95 PTGS2 (0.75) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL15481630 0.94 PTGS2 (0.70) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL8011006 0.94 ESR1 (0.72) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL804992 0.92 ESR2 (0.73) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL16692234 0.90 ESR2 (0.71) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL10041513 0.90 ESR2 (0.71) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL14160911 0.88 ESR1 (0.73) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL541157 0.88 ESR2 (0.78) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL17177944 0.88 ESR1 (0.57) PTGS2ESR1ESR2KMT2AMEN1
SCHEMBL8027341 0.88 RAB9A (0.60) PTGS2ESR1ESR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112250667-B Organic compound, application thereof and organic electroluminescent device using same 固安鼎材科技有限公司 2024-03-08 CN disclosed
CN-114075202-B Nitrogen-containing compound, organic electroluminescent device comprising same and electronic device 陕西莱特迈思光电材料有限公司 2023-09-12 CN disclosed
WO-2023113576-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 WO disclosed
WO-2023113577-A1 COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 WO disclosed
WO-2022267839-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2022-12-29 WO disclosed
CN-114075202-A Nitrogen-containing compound, organic electroluminescent device comprising nitrogen-containing compound and electronic device comprising nitrogen-containing compound 陕西莱特迈思光电材料有限公司 2022-02-22 CN disclosed
CN-112952019-A Organic electroluminescent device and display device comprising same 烟台显华光电材料研究院有限公司 2021-06-11 CN disclosed
CN-112250667-A Organic compound, application thereof and organic electroluminescent device adopting organic compound 固安鼎材科技有限公司 2021-01-22 CN disclosed
CN-107922414-B Compound and organic light-emitting element comprising same 株式会社LG化学 2020-11-17 CN disclosed
US-10811615-B2 Compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-10-20 US disclosed
US-9871207-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-01-16 US disclosed
US-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-31 US disclosed
US-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-31 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP 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-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 PTGS2 2629/4885ESR1 5/4885ESR2 110/4885
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 PTGS2 2821/4885ESR1 2/4885ESR2 69/4885
US-10811615-B2 Compound and organic light emitting element comprising same CRY2, CRY1, NR2E3 PTGS2 2314/4885ESR1 7/4885ESR2 36/4885

“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.