SCHEMBL716259

SCHEMBL716259

O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 3/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 3/20 0.45
VCAM1 P19320 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TTR P02766 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL561018 0.95 CYP19A1 (0.48) CYP19A1SMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL18407603 0.87 TSHR (0.56) CYP19A1SMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL11025268 0.87 ACHE (0.54) CYP19A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL30319435 0.87 TSHR (0.56) CYP19A1SMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL31347504 0.87 ACHE (0.54) CYP19A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL3912806 0.86 ALDH1A1 (0.46) CYP19A1SMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL10155626 0.86 TSHR (0.63) CYP19A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL31434425 0.86 ACP1 (0.44) CYP19A1SMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL1099111 0.86 CYP4F2 (0.42) CYP19A1SMN1; SMN2CYP3A4TSHRLMNA
SCHEMBL922768 0.86 NPC1 (0.47) CYP19A1SMN1; SMN2CYP3A4TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118563576-B Preparation method of antioxidant SBS modified asphalt waterproof coiled material 北新防水(安徽)有限公司 2024-11-01 CN claimed
CN-118563576-A Preparation method of antioxidant SBS modified asphalt waterproof coiled material 北新防水(安徽)有限公司 2024-08-30 CN claimed
CN-116555080-A Preparation method of hybrid ester compound containing oxazole ring 上海交通大学医学院附属仁济医院 2023-08-08 CN claimed
CN-114988775-B Self-repairing high-performance concrete 浙江方远新材料股份有限公司 2023-07-14 CN claimed
CN-114605769-B Polyamide color master batch colored by high-content carbon black for spinning and preparation method thereof 广东九彩新材料有限公司 2023-01-17 CN claimed
CN-114988775-A Self-repairing high-performance concrete 浙江方远新材料股份有限公司 2022-09-02 CN claimed
CN-111138107-B Microorganism immobilization method for self-repairing of concrete cracks 浙江海洋大学 2021-11-23 CN claimed
CN-111393300-A Novel method for synthesizing 3, 5-dinitrobenzyl chloride 南京工业大学 2020-07-10 CN claimed
CN-111138107-A Microorganism immobilization method for self-repairing of concrete cracks 浙江海洋大学 2020-05-12 CN claimed
EP-0546390-A1 Device for creatinine determination Bayer Corporation (US) 1993-06-16 EP claimed
EP-4707274-A1 SP3-ANALOGUES OF AXITINIB AND MEDICAL USES THEREOF Universidad Autónoma de Madrid (ES) 2026-03-11 EP disclosed
CN-120775654-A Bright laundry detergent without fluorescent whitening agent 深圳市海量实业有限公司 2025-10-14 CN disclosed
CN-119972172-A Heterogeneous organic polymer catalyst, preparation method thereof and method for synthesizing aldehyde or lactone compound 武汉光化学技术研究院 2025-05-13 CN disclosed
CN-115490705-B N-macrocyclic amide compound, preparation method thereof and application thereof as medicine 成都凡诺西生物医药科技有限公司 2025-04-01 CN disclosed
US-20240425518-A1 N-MACROCYCLIC AMIDE COMPOUNDS, PREPARATION METHODS THEREOF AND APPLICATIONS THEREOF AS MEDICAMENTS CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2024-12-26 US disclosed
US-4558117-A Organic solvent-soluble photosensitive polyimide resin UBE INDUSTRIES, LTD. (JP) 1985-12-10 US disclosed
EP-0004447-B1 PREPARATION OF TRIFLUOROMETHYLPHENOLS AND NOVEL TRIFLUOROMETHYLPHENYL BENZYL ETHER INTERMEDIATES ELI LILLY AND COMPANY (US) 1981-12-02 EP disclosed
US-4232032-A GROWTH PROMOTERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-11-04 US disclosed
EP-0004447-A2 Preparation of trifluoromethylphenols and novel trifluoromethylphenyl benzyl ether intermediates ELI LILLY AND COMPANY (US) 1979-10-03 EP disclosed
US-4168388-A Trifluoromethylphenyl benzyl ethers ELI LILLY AND COMPANY (US) 1979-09-18 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-20240425518-A1 N-MACROCYCLIC AMIDE COMPOUNDS, PREPARATION METHODS THEREOF AND APPLICATIONS THEREOF AS MEDICAMENTS ZYX, MLX, LPXN CYP19A1 321/4885SMN1; SMN2 3397/4885CYP3A4 252/4885

“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.