SCHEMBL648427

SCHEMBL648427

NNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
MMP1 P03956 1/20 0.69
MMP2 P08253 1/20 0.69
MMP9 P14780 1/20 0.69
MMP8 P22894 1/20 0.69
MMP13 P45452 1/20 0.69
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
F2 P00734 3/20 0.62
PRSS1 P07477 3/20 0.62
PRSS2 P07478 3/20 0.62
PRSS3 P35030 3/20 0.62
THRB P10828 1/20 0.58
CYP19A1 P11511 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL30732635 1.00 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL22532073 0.83 F2 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL30339289 0.81 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL46064 0.81 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL27962904 0.81 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL5810580 0.81 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL8224048 0.81 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL30649118 0.80 KMT2A (0.71) CA1CA2MMP1MMP2MMP9
SCHEMBL4389696 0.80 KMT2A (0.71) CA1CA2MMP1MMP2MMP9
SCHEMBL11514739 0.80 CA1 (0.67) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040409-A Preparation method and application of macrolide compound and intermediate compound thereof 中国科学院昆明植物研究所 2025-05-27 CN claimed
WO-2024042491-A1 ORGANIC LAYER COMPRISING REGIONS HAVING DIFFERENT ELECTRONIC PROPERTIES FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-02-29 WO claimed
CN-115368437-A Method for solid-phase synthesis of cyclic polypeptide 深圳市第二人民医院(深圳市转化医学研究院) 2022-11-22 CN claimed
EP-3701065-A1 SINGLE- AND MIXED-METAL NANOPARTICLES, NANOPARTICLE CONJUGATES, DEVICES FOR MAKING NANOPARTICLES, AND RELATED METHODS OF USE Montrose Biosystems LLC (US) 2020-09-02 EP claimed
CN-105805426-B Pipeline runs through device 上海火克新材料有限公司 2017-10-27 CN claimed
EP-2496577-A1 IMIDAZOPYRIDINE DERIVATIVES Piramal Life Sciences Limited (IN) 2012-09-12 EP claimed
WO-2011055320-A1 IMIDAZOPYRIDINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 WO claimed
EP-0140886-B1 FILM BADGE FOR DETERMINING CARBONYL COMPOUNDS Crystal Diagnostic Systems, Inc. (US) 1988-09-07 EP claimed
EP-0103840-B1 METHOD FOR PREPARING 1,2,3-TRIHETERO 5-MEMBERED HETEROCYCLIC COMPOUNDS LEDERLE (JAPAN) LTD. (JP) 1987-03-04 EP claimed
US-4540794-A Method for preparing 5-mercapto-1,2,3-thiadiazole salts LEDERLE (JAPAN), LTD. (JP) 1985-09-10 US claimed
EP-4725941-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-04-15 EP disclosed
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 US disclosed
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-12404248-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-09-02 US disclosed
EP-4603105-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-08-20 EP disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 WO disclosed
EP-0103840-B1 METHOD FOR PREPARING 1,2,3-TRIHETERO 5-MEMBERED HETEROCYCLIC COMPOUNDS LEDERLE (JAPAN) LTD. (JP) 1987-03-04 EP disclosed
US-4540794-A Method for preparing 5-mercapto-1,2,3-thiadiazole salts LEDERLE (JAPAN), LTD. (JP) 1985-09-10 US disclosed
EP-0103840-A2 Method for preparing 1,2,3-trihetero 5-membered heterocyclic compounds LEDERLE (JAPAN) LTD. (JP) 1984-03-28 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 (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-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS CA1 3123/4885CA2 2914/4885MMP1 4819/4885
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 CA1 95/4885CA2 1654/4885MMP1 1187/4885
US-12404248-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CA1 4652/4885CA2 4217/4885MMP1 4116/4885

“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.