SCHEMBL729919

SCHEMBL729919

c1ccc(-c2nc3ccccc3c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.61
ADORA2A P29274 2/20 0.61
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 4/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR3 P46089 1/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PDE10A Q9Y233 2/20 0.52
DHODH Q02127 2/20 0.52
ATM Q13315 1/20 0.52
TSHR P16473 1/20 0.50

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
SCHEMBL30537037 1.00 NUDT1 (0.61) NUDT1ADORA2AMEN1KMT2AMAPT
Iodide SCHEMBL31032485 0.98 NUDT1 (0.59) NUDT1ADORA2AMEN1KMT2AMAPT
SCHEMBL23607638 0.92 KDM4E (0.55) NUDT1ADORA2AMEN1KMT2AMAPT
SCHEMBL19009488 0.90 MEN1 (0.67) NUDT1ADORA2AMEN1KMT2AMAPT
SCHEMBL23606988 0.87 MEN1 (0.63) NUDT1ADORA2AMEN1KMT2AMAPT
SCHEMBL712287 0.86 NUDT1 (0.47) NUDT1ADORA2AMEN1KMT2AMAPT
SCHEMBL15561040 0.86 MEN1 (0.69) NUDT1ADORA2AMEN1KMT2AMAPT
SCHEMBL28202635 0.86 KDM4E (0.69) NUDT1ADORA2AGAAKDM4EPKM
SCHEMBL12578343 0.86 CYP1B1 (0.51) NUDT1ADORA2AMEN1KMT2AGAA
SCHEMBL28232225 0.86 ADORA2A (0.67) NUDT1ADORA2AKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112505023-B Method for improving electrochemiluminescence signal in bioassay 周明 2024-08-23 CN claimed
EP-3426398-B1 BRANCHED-CHAIN AMINES IN ELECTROCHEMILUMINESCENCE DETECTION ROCHE DIAGNOSTICS GMBH (DE) 2024-01-24 EP claimed
CN-108698047-B Branched amines in electrochemiluminescence detection 豪夫迈·罗氏有限公司 2022-04-01 CN claimed
CN-108314649-B Synthetic method of 6-phenylphenanthridine compound 温州大学 2021-03-19 CN claimed
US-20050187278-A1 Treatment or prevention of vascular disorders with Cox-2 inhibitors in combination with cyclic AMP-specific phosphodiesterase inhibitors PHARMACIA CORPORATION (US) 2005-08-25 US claimed
WO-2005020926-A2 TREATMENT OR PREVENTION OF VASCULAR DISORDERS WITH COX-2 INHIBITORS IN COMBINATION WITH CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS PHARMACIA CORPORATION (US) 2005-03-10 WO claimed
US-12570676-B2 Multifunctionalized silicon nanoparticles, process for their preparation and uses thereof in electrochemiluminescence based detection methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2026-03-10 US disclosed
US-12372474-B2 Branched-chain amines in electrochemiluminescence detection ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2025-07-29 US disclosed
EP-4174078-B1 ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF BEIJING SUMMER SPROUT TECH CO LTD (CN) 2024-12-04 EP disclosed
US-20240327703-A1 IRIDIUM COMPLEX, ORGANIC LIGHT EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND MOVING BODY CANON KABUSHIKI KAISHA (JP) 2024-10-03 US disclosed
CN-112505023-B Method for improving electrochemiluminescence signal in bioassay 周明 2024-08-23 CN disclosed
CN-114641554-B Method for improving electrochemiluminescence signal in bioassay 苏州安赛诊断技术有限公司 2024-06-28 CN disclosed
CN-118234709-A Hydrophilic azadibenzocyclooctyne derivatives and metal-free click reactions with these hydrophilic azadibenzocyclooctyne derivatives 豪夫迈·罗氏有限公司 2024-06-21 CN disclosed
EP-0355575-B1 Method of preventing polymer scale formation SHINETSU CHEMICAL CO (JP) 1994-11-02 EP disclosed
US-5298220-A Forming a coating of a solution containing anioic and cationic dyes and water insoluble organonitrogen compound, drying SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-03-29 US disclosed
US-5196164-A During addition polymerization, wall coating of anionic dye and cationic dye and organonitrogen compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-03-23 US disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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-12570676-B2 Multifunctionalized silicon nanoparticles, process for their preparation and uses thereof in electrochemiluminescence based detection methods SELP, SELPLG, SELE NUDT1 3863/4885ADORA2A 4714/4885MEN1 276/4885
US-12372474-B2 Branched-chain amines in electrochemiluminescence detection BCAT2, BCAT1, MAOB NUDT1 567/4885ADORA2A 619/4885MEN1 2210/4885
US-20050187278-A1 Treatment or prevention of vascular disorders with Cox-2 inhibitors in combination with cyclic AMP-specific phosphodiesterase inhibitors PDE2A, PDE3A, PDE3B NUDT1 415/4885ADORA2A 109/4885MEN1 2764/4885

“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.