SCHEMBL1286840

SCHEMBL1286840

CC(C)(C)OC(=O)C(Br)CCN

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
GABRR1 P24046 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CPB2 Q96IY4 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
LMNA P02545 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL8785206 0.87 ZDHHC7 (0.39) NOS1NOS3NOS2ZDHHC7KMT2A
SCHEMBL27905397 0.85 ZDHHC7 (0.46) NOS1NOS3NOS2ZDHHC7KMT2A
SCHEMBL9079671 0.85 ZDHHC7 (0.46) NOS1NOS3NOS2ZDHHC7KMT2A
SCHEMBL3205535 0.83 NOS1 (0.34) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL9691868 0.82 ZDHHC7 (0.44) NOS1NOS3NOS2ZDHHC7KMT2A
SCHEMBL343267 0.82 ZDHHC7 (0.36) NOS1NOS3NOS2ZDHHC7KMT2A
SCHEMBL9352351 0.79 KMT2A (0.33) NOS1NOS3NOS2ZDHHC7KMT2A
SCHEMBL23552907 0.78 HDAC3 (0.35) NOS1NOS3NOS2ZDHHC7KMT2A
SCHEMBL7329329 0.78 ZDHHC7 (0.55) ZDHHC7CA1CA2
SCHEMBL2007637 0.78 ZDHHC7 (0.55) ZDHHC7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117797258-A Preparation method and application of photo-thermal synergistic chemical kinetics nano gel for resisting bacterial biofilm infection 广东医科大学 2024-04-02 CN claimed
CN-117797258-A Preparation method and application of photo-thermal synergistic chemical kinetics nano gel for resisting bacterial biofilm infection 广东医科大学 2024-04-02 CN disclosed
EP-3873457-B1 ISOSORBIDE-5-MONONITRATE DERIVATIVES AS POTENTIATORS OF VASODILATORY RELEASE OF NITRIC OXIDE IN HYPOXIA FOR THE TREATMENT OF CARDIOVASCULAR DISEASES COEURATIVE INC (US) 2024-02-07 EP disclosed
CN-111171014-B Monocyclolactam compounds and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed
US-11779560-B2 Methods of using nitric oxide donor compounds for treatment of COVID-19 and other infectious diseases COEURATIVE, INC. (US) 2023-10-10 US disclosed
EP-4126221-A2 NOVEL METHODS OF USING NITRIC OXIDE DONOR COMPOUNDS FOR TREATMENT OF COVID-19 AND OTHER INFECTIOUS DISEASES Coeurative, Inc. (US) 2023-02-08 EP disclosed
CN-115474429-A Novel methods of treating COVID-19 and other infectious diseases using nitric oxide donor compounds 合作股份有限公司 2022-12-13 CN disclosed
CN-112771040-B Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2022-10-18 CN disclosed
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
US-20210346335-A1 METHODS OF USING NITRIC OXIDE DONOR COMPOUNDS FOR TREATMENT OF COVID-19 AND OTHER INFECTIOUS DISEASES COEURATIVE, INC. (US) 2021-11-11 US disclosed
WO-2001058889-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-08-16 WO disclosed
EP-1115398-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-07-18 EP disclosed
US-6218390-B1 FOR LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, RELAXING LOWER URINARY TRACT TISSUE, THERAPY OF BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, CARDIAC ARRHYTHMIA, SYMPATHETIC MEDIATED PAIN, MIGRAINE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
WO-2000027817-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-2000025782-A1 DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000016772-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2000-03-30 WO disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 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-11779560-B2 Methods of using nitric oxide donor compounds for treatment of COVID-19 and other infectious diseases NOS2, NOS1, NOS3 NOS1 2/4885NOS3 3/4885NOS2 1/4885
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR BPGM, IL1B, WEE1 NOS1 795/4885NOS3 2274/4885NOS2 1448/4885
US-20210346335-A1 METHODS OF USING NITRIC OXIDE DONOR COMPOUNDS FOR TREATMENT OF COVID-19 AND OTHER INFECTIOUS DISEASES NOS2, NOS1, NOS3 NOS1 2/4885NOS3 3/4885NOS2 1/4885

“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.