SCHEMBL29577830

SCHEMBL29577830

O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 1.00
TSHR P16473 2/20 0.70
LMNA P02545 1/20 0.70
HCAR3 P49019 13/20 0.64
APEX1 P27695 1/20 0.58

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
SCHEMBL504055 1.00 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL10824709 0.98 CASP6 (0.96) CASP6TSHRLMNAHCAR3APEX1
Hydrochloric Acid SCHEMBL11110871 0.98 CASP6 (0.96) CASP6TSHRLMNAHCAR3APEX1
Bicarbonate SCHEMBL29092951 0.94 CASP6 (0.89) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL11195885 0.86 CASP6 (0.75) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1632594 0.85 CASP6 (0.73) CASP6TSHRLMNAHCAR3
SCHEMBL27985417 0.85 CASP6 (0.74) CASP6TSHRLMNAHCAR3
SCHEMBL1851121 0.84 CASP6 (0.72) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL263830 0.84 CASP6 (0.72) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL13858860 0.84 CASP6 (0.72) CASP6TSHRLMNAHCAR3APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118725252-A Sulfonyl iminopolyurethane single-ion polymer electrolyte membrane, and preparation method and application thereof 哈尔滨工业大学 2024-10-01 CN claimed
CN-111465699-B Method for producing amines from carbonyl compounds by transaminase reaction under salt precipitation 恩齐米克斯公司 2024-09-20 CN claimed
US-12018303-B2 Method for preparing amines from carbonyl compounds by transaminase reaction under salt precipitation ENZYMICALS AG (DE) 2024-06-25 US claimed
CN-117776942-A Method for preparing diaminobenzoic acid based on dinitrobenzoic acid 清源创新实验室 2024-03-29 CN claimed
CN-116826208-A Lithium supplementing positive electrode material, preparation method and application of lithium nitrobenzoate, lithium ion battery and electric equipment 蜂巢能源科技(无锡)有限公司 2023-09-29 CN claimed
CN-109776390-B Preparation method and application of fluorescence molecular probe for detecting glutathione mercaptotransferase 滨州医学院 2022-04-12 CN claimed
CN-120887783-B Synthesis method of trans-2-octenal 山东奥途美森工业科技有限公司 2026-02-13 CN disclosed
CN-120887783-A Synthesis method of trans-2-octenal 山东奥途美森工业科技有限公司 2025-11-04 CN disclosed
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 CN disclosed
CN-118725252-A Sulfonyl iminopolyurethane single-ion polymer electrolyte membrane, and preparation method and application thereof 哈尔滨工业大学 2024-10-01 CN disclosed
CN-111465699-B Method for producing amines from carbonyl compounds by transaminase reaction under salt precipitation 恩齐米克斯公司 2024-09-20 CN disclosed
CN-116217551-B Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2024-07-30 CN disclosed
US-12018303-B2 Method for preparing amines from carbonyl compounds by transaminase reaction under salt precipitation ENZYMICALS AG (DE) 2024-06-25 US disclosed
CN-108884054-B Compounds for the treatment of proliferative diseases 儿童医学中心公司 2022-08-02 CN disclosed
CN-113004241-B 11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof 郑州大学 2022-07-22 CN disclosed
CN-108350014-B Aminoglycoside derivatives and their use in the treatment of genetic disorders ELOXX制药有限公司 2022-06-10 CN disclosed
US-20220162654-A1 METHOD FOR PREPARING AMINES FROM CARBONYL COMPOUNDS BY TRANSAMINASE REACTION UNDER SALT PRECIPITATION ENZYMICALS AG (DE) 2022-05-26 US disclosed
CN-109776390-B Preparation method and application of fluorescence molecular probe for detecting glutathione mercaptotransferase 滨州医学院 2022-04-12 CN disclosed
CN-109776390-B Preparation method and application of fluorescence molecular probe for detecting glutathione mercaptotransferase 滨州医学院 2022-04-12 CN disclosed
CN-112679358-B Method for continuously preparing 3, 5-dinitrobenzoic acid by using microchannel reactor 常州大学 2022-03-01 CN 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 (2 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-12018303-B2 Method for preparing amines from carbonyl compounds by transaminase reaction under salt precipitation GOT1, GOT2, OAT CASP6 2918/4885TSHR 1072/4885LMNA 2776/4885
US-20220162654-A1 METHOD FOR PREPARING AMINES FROM CARBONYL COMPOUNDS BY TRANSAMINASE REACTION UNDER SALT PRECIPITATION GOT1, GOT2, OAT CASP6 2918/4885TSHR 1072/4885LMNA 2776/4885

“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.