SCHEMBL750976

SCHEMBL750976

CCCCCc1cccnc1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.49
BACE1 P56817 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
NOS2 P35228 2/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
TLR7 Q9NYK1 2/20 0.43
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL28020387 0.98 TLR8 (0.47) TLR8BACE1TDP1L3MBTL1LIPG
SCHEMBL11401202 0.98 TLR8 (0.47) TLR8BACE1TDP1L3MBTL1LIPG
SCHEMBL6982374 0.98 TLR8 (0.47) TLR8BACE1TDP1L3MBTL1LIPG
SCHEMBL27725467 0.98 TLR8 (0.47) TLR8BACE1TDP1L3MBTL1LIPG
Hydrochloric Acid SCHEMBL8582822 0.96 TLR8 (0.46) TLR8BACE1TDP1L3MBTL1LIPG
SCHEMBL8049756 0.94 BACE1 (0.49) TLR8BACE1TDP1L3MBTL1LIPG
SCHEMBL28906708 0.89 TLR8 (0.42) TLR8BACE1LIPGNOS1TLR7
SCHEMBL2384178 0.86 BACE1 (0.51) TLR8BACE1TDP1NOS2NOS3
SCHEMBL28155486 0.84 BACE1 (0.40) TLR8BACE1TDP1L3MBTL1LIPG
SCHEMBL28963267 0.83 TLR8 (0.37) TLR8BACE1TDP1L3MBTL1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085506-B The medical usage of 2 [epoxide of 4 (benzoxazoles 2) phenoxy group] fatty acyl pyridine amine 湖南大学 2018-01-19 CN claimed
CN-105085480-B 2‑[4‑(The epoxide of quinoxaline 2)Phenoxy group] fatty acyl pyridine amine medical usage 湖南大学 2017-12-29 CN claimed
CN-105085386-B The medical usage of 2 (4 phenoxy-phenoxy) fatty acyl pyridine amine 湖南大学 2017-10-31 CN claimed
CN-105085385-B The medical usage of 2 [4 (epoxide of pyridine 2) phenoxy group] fatty acyl pyridine amine 湖南大学 2017-10-31 CN claimed
CN-105085480-A Medical application of 2-[4-(quinoxaline-2-oxyl)phenoxyl]fatty acyl pyridylamine UNIV HUNAN 2015-11-25 CN claimed
CN-105085506-A Medical application of 2-[4-(benzoxazole-2-oxyl)phenoxyl]fatty acyl pyridylamine UNIV HUNAN 2015-11-25 CN claimed
CN-105085385-A Medical application of 2-[4-(pyridine-2-oxyl)phenoxyl]fatty acyl pyridylamine UNIV HUNAN 2015-11-25 CN claimed
CN-105085386-A Medical application of 2-(4-phenoxyphenoxy)fatty acyl pyridylamine UNIV HUNAN 2015-11-25 CN claimed
CN-102421807-A Catalyst, method for preparing polyolefin composition and polyolefin composition DOW GLOBAL TECHNOLOGIES INC 2012-04-18 CN claimed
US-4914077-A GOOD HUE AND STABILITY EASTMAN KODAK COMPANY (US) 1990-04-03 US claimed
CN-111263766-B Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device and lighting device 三菱化学株式会社 2024-04-02 CN disclosed
CN-116655702-A Iridium complex compound and composition containing the same and solvent 三菱化学株式会社 2023-08-29 CN disclosed
CN-113966553-A Composition for organic electroluminescent element, display device, and lighting device 三菱化学株式会社 2022-01-21 CN disclosed
CN-113874467-A Composition for organic electroluminescent element, method for producing organic electroluminescent element, and display device 三菱化学株式会社 2021-12-31 CN disclosed
CN-113272313-A Iridium complex compound 三菱化学株式会社 2021-08-17 CN disclosed
CN-100396677-C 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-06-25 CN disclosed
WO-2007083239-A1 PYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
CN-1675197-A 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2005-09-28 CN disclosed
US-4596872-A Imidazo[1,2-a]pyridines, and process for their preparation SCHERING A.G. (DE) 1986-06-24 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 (1 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-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG TLR8 160/4885BACE1 3377/4885TDP1 1108/4885

“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.