SCHEMBL3937758

SCHEMBL3937758

[O]c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
GPR35 Q9HC97 2/20 0.61
TDP1 Q9NUW8 5/20 0.54
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
S100A4 P26447 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 1/20 0.41
PTPRC P08575 1/20 0.41
ERN1 O75460 1/20 0.41
PDE7A Q13946 1/20 0.40

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
SCHEMBL1926046 0.85 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL118464 0.85 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL28529002 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157907 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Fluoride SCHEMBL29099623 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157905 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL29669769 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28144547 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27735242 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Water SCHEMBL27294140 0.83 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN claimed
CN-117980327-A Specific coupling of antibodies 杭州多禧生物科技有限公司 2024-05-03 CN claimed
US-20230312471-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES Universität Konstanz (DE) 2023-10-05 US claimed
EP-4204089-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES Universität Konstanz (DE) 2023-07-05 EP claimed
WO-2023118378-A1 NOVEL GLYCOSYNTHASE CARBOCODE S.A. (PT) 2023-06-29 WO claimed
CN-116143678-A Conjugate linker, cell-binding molecule-drug conjugate containing the same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-05-23 CN claimed
CN-115443134-A Conjugates of cell binding molecules and camptothecin analogs 杭州多禧生物科技有限公司 2022-12-06 CN claimed
CN-113195487-A 2, 3-diaminosuccinyl conjugate linkers 杭州多禧生物科技有限公司 2021-07-30 CN claimed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN claimed
US-9982018-B2 Amatoxin derivatives HEIDELBERG PHARMA GMBH (DE) 2018-05-29 US claimed
EP-0186576-B1 COVALENTLY-MODIFIED NEUTRAL BACTERIAL POLYSACCHARIDES, STABLE COVALENT CONJUGATES OF SUCH POLYSACCHARIDES AND IMMUNOGENIC PROTEINS, AND METHODS OF PREPARING SUCH POLYSACCHARIDES AND CONJUGATES MERCK & CO. INC. (US) 1992-07-22 EP claimed
EP-0161188-B1 COVALENTLY-MODIFIED BACTERIAL POLYSACCHARIDES, STABLE COVALENT CONJUGATES OF SUCH POLYSACCHARIDES AND IMMUNOGENIC PROTEINS WITH BIGENERIC SPACERS, AND METHODS OF PREPARING SUCH POLYSACCHARIDES AND CONJUGATES AND OF CONFIRMING COVALENCY MERCK & CO. INC. (US) 1991-04-03 EP claimed
US-4882317-A SOLUBILIZATION MERCK & CO., INC. (US) 1989-11-21 US claimed
EP-0186576-A2 Covalently-modified neutral bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins, and methods of preparing such polysaccharides and conjugates MERCK & CO. INC. (US) 1986-07-02 EP claimed
EP-0161188-A2 Covalently-modified bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency MERCK & CO. INC. (US) 1985-11-13 EP claimed
US-4487963-A Enantioselective synthesis of 4-amino-3-hydroxy-2,4-(disubstituted)pentanoic acid MERCK & CO., INC. (US) 1984-12-11 US claimed
EP-0042731-B1 LARVICIDES, INSECTICIDES, ACARICIDES AND MITICIDES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-12-05 EP claimed
EP-0023343-B1 SUBSTITUTED 3-AMINO-SYDNONIMINES, PROCESS FOR THEIR SYNTHESIS AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CASSELLA Aktiengesellschaft (DE) 1984-03-28 EP claimed
EP-0042731-A1 Larvicides, insecticides, acaricides and miticides, processes for preparing them and compositions containing them Pfizer Limited (GB) 1981-12-30 EP claimed
EP-0023343-A2 Substituted 3-amino-sydnonimines, process for their synthesis and pharmaceutical preparations containing them CASSELLA Aktiengesellschaft (DE) 1981-02-04 EP 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 (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-20230312471-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES SARS1, ACE, ACE2 TSHR 2697/4885GPR35 2629/4885TDP1 2007/4885

“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.