SCHEMBL504055

SCHEMBL504055

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
SCHEMBL29577830 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 573 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-111465699-A Method for producing amines from carbonyl compounds by transaminase reaction with salt precipitation 恩齐米克斯公司 2020-07-28 CN claimed
EP-3486324-B1 METHOD FOR PREPARING AMINES FROM CARBONYL COMPOUNDS BY TRANSAMINASE REACTION UNDER SALT PRECIPITATION ENZYMICALS AG (DE) 2020-06-10 EP claimed
CN-107429399-B Activation method for silicon substrate 埃托特克德国有限公司 2020-02-07 CN claimed
EP-3486324-A1 METHOD FOR PREPARING AMINES FROM CARBONYL COMPOUNDS BY TRANSAMINASE REACTION UNDER SALT PRECIPITATION Enzymicals AG (DE) 2019-05-22 EP claimed
CN-109776390-A It is a kind of for detecting the preparation method and application of glutathione sulfydryl transferase fluorescent molecular probe 滨州医学院 2019-05-21 CN claimed
US-20190016745-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2019-01-17 US claimed
EP-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP claimed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO claimed
EP-0414055-B1 Acid modified polyarylenesulfides BAYER AG (DE) 1995-10-11 EP claimed
US-5420218-A Suspension polymerization of methacrylates in the presence of acids or alcohols NIPPON SHOKUBAI CO., LTD. (JP) 1995-05-30 US claimed
EP-0546390-A1 Device for creatinine determination Bayer Corporation (US) 1993-06-16 EP claimed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US claimed
US-4715218-A Method of determining degree of embrittlement of low alloy steel KABUSHIKI KAISHA TOSHIBA (JP) 1987-12-29 US claimed
US-4346014-A INCLUSION OF NITRO COMPOUND IN ROLLING OIL PENNWALT CORPORATION (US) 1982-08-24 US claimed
EP-0055616-A1 Antibacterial compounds BEECHAM GROUP PLC (GB) 1982-07-07 EP claimed
US-3953297-A Determination of amylase PIERCE CHEMICAL COMPANY (US) 1976-04-27 US claimed

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-20190016745-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS ALPI, MGAM, AASDHPPT CASP6 3245/4885TSHR 2906/4885LMNA 3709/4885
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

“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.