SCHEMBL1663582

SCHEMBL1663582

O=C(O)c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
ALDH1A1 P00352 2/20 0.53
DTYMK P23919 1/20 0.50
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP6 P55212 1/20 0.47
BACE1 P56817 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CES2 O00748 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL267752 0.85 DTYMK (0.64) TSHRCA1CA2CA12CA7
SCHEMBL28134449 0.85 DTYMK (0.64) TSHRCA1CA2CA12CA7
SCHEMBL31283743 0.85 DTYMK (0.64) TSHRCA1CA2CA12CA7
SCHEMBL6397073 0.83 DTYMK (0.62) TSHRCA1CA2CA12CA7
SCHEMBL1663487 0.83 KCNMA1 (0.47) TSHRALDH1A1CYP3A4ALOX15BACE1
SCHEMBL2327506 0.83 BACE1 (0.45) ALDH1A1CYP3A4BACE1NPSR1RXFP1
SCHEMBL10831554 0.83 DTYMK (0.62) TSHRCA1CA2CA12CA7
SCHEMBL1883040 0.83 MAPT (0.49) TSHRALDH1A1CYP3A4ALOX15BACE1
SCHEMBL8375405 0.82 TDP1 (0.52) TSHRALDH1A1DTYMKCYP3A4ALOX15
SCHEMBL145092 0.81 CASP6 (0.72) TSHRCASP6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-115011025-B Overhead insulated conductor with corrosion-resistant shell and preparation method thereof 任丘市嘉华电讯器材有限公司 2023-05-09 CN claimed
CN-115011025-A Overhead insulated conductor with corrosion-resistant shell and preparation method thereof 任丘市嘉华电讯器材有限公司 2022-09-06 CN claimed
CN-113214714-A High-molecular coating for medical instrument with barrier biological film and preparation method thereof 金赛花 2021-08-06 CN claimed
CN-112281492-A Anti-aging textile fabric and preparation method thereof 玉环德谷新材料科技有限公司 2021-01-29 CN claimed
US-10626141-B2 Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence SHIMADZU CORPORATION (JP) 2020-04-21 US claimed
EP-3246706-A1 METHOD FOR SPECIFIC CLEAVAGE OF C(ALPHA)-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE Shimadzu Corporation (JP) 2017-11-22 EP claimed
US-20170327533-A1 METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE SHIMADZU CORPORATION (JP) 2017-11-16 US claimed
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 EP claimed
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 US disclosed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN disclosed
US-4849010-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1989-07-18 US disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed
US-4724039-A RICE CROP E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4710221-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-01 US disclosed
EP-0235449-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-09 EP disclosed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 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 (4 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-20170327533-A1 METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE CPN1, CYBA, CRYAB TSHR 4102/4885CA1 115/4885CA2 110/4885
US-10626141-B2 Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence CPN1, CYBA, CRYAB TSHR 4102/4885CA1 115/4885CA2 110/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A TSHR 3668/4885CA1 4274/4885CA2 340/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A TSHR 3668/4885CA1 4274/4885CA2 340/4885

“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.