SCHEMBL25764

SCHEMBL25764

O=C(OCI)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
MGLL Q99685 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 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
SCHEMBL409598 0.86 HTR2A (0.59) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL5526504 0.85 HTR2A (0.58) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL12064913 0.84 HTR2A (0.52) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL26374 0.84 GAA (0.65) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL24606 0.83 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL13069276 0.83 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL1421471 0.83 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL763025 0.83 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL278663 0.83 BCL9 (0.62) HTR2ABCL9CTNNB1GAAKMT2A
Hydrochloric Acid SCHEMBL7895043 0.82 GAA (0.62) HTR2ABCL9CTNNB1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294813-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-09-10 EP disclosed
US-20250214931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2025-07-03 US disclosed
US-20250127801-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-24 US disclosed
WO-2025080850-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 WO disclosed
US-20250122219-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-17 US disclosed
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-17 US disclosed
WO-2025080879-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 WO disclosed
WO-2025080689-A1 LIPID PRODRUGS OF BROMOLYSERGIDE AND USES THEREOF SEAPORT THERAPEUTICS, INC. (US) 2025-04-17 WO disclosed
WO-2025080863-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 WO disclosed
CN-119522222-A Nitrogen-containing heterocyclic compound, preparation method thereof, intermediate thereof and application thereof 上海艾力斯医药科技股份有限公司 2025-02-25 CN disclosed
EP-0830372-A1 CYCLIC PRODRUGS OF PEPTIDES AND PEPTIDE NUCLEIC ACIDS HAVING IMPROVED METABOLIC STABILITY AND CELL MEMBRANE PERMEABILITY THE UNIVERSITY OF KANSAS (US) 1998-03-25 EP disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed
WO-1997039024-A1 CYCLIC PRODRUGS OF PEPTIDES AND PEPTIDE NUCLEIC ACIDS HAVING IMPROVED METABOLIC STABILITY AND CELL MEMBRANE PERMEABILITY THE UNIVERSITY OF KANSAS (US) 1997-10-23 WO disclosed
US-5672584-A MODIFIED WITH END GROUPS THE UNIVERSITY OF KANSAS (US) 1997-09-30 US disclosed
WO-1997023499-A1 PRODRUGS OF THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-07-03 WO disclosed
CN-1112104-A Acetic acid derivatives HOFFMANN LA ROCHE (CH) 1995-11-22 CN disclosed
EP-0656348-A2 Aceric acid derivatives as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 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-20250122219-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD HTR2A 4349/4885BCL9 366/4885CTNNB1 4717/4885
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD HTR2A 4349/4885BCL9 366/4885CTNNB1 4717/4885
US-20250127801-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD HTR2A 4349/4885BCL9 366/4885CTNNB1 4717/4885
US-20250214931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 HTR2A 4104/4885BCL9 2071/4885CTNNB1 3511/4885

“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.