SCHEMBL3932149

SCHEMBL3932149

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
ACHE P22303 2/20 0.62
BCHE P06276 1/20 0.62
HSD17B10 Q99714 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 3/20 0.61
CYP3A4 P08684 2/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.61
THRB P10828 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 1/20 0.56
HSPB1 P04792 1/20 0.48
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL1363813 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
SCHEMBL9316829 0.85 CES2 (0.68) CA1CA2CES2CES1ACHE
SCHEMBL1363815 0.85 CA1 (0.73) CA1CA2CES2CES1ACHE
SCHEMBL35319 0.83 CA1 (0.71) CA1CA2CES2CES1ACHE
SCHEMBL25931268 0.83 ALDH1A1 (0.65) CA1CA2CES2CES1ACHE
SCHEMBL14095660 0.82 ALDH1A1 (0.69) CA1CA2CES2CES1ACHE
SCHEMBL3930562 0.82 ALDH1A1 (0.69) CA1CA2CES2CES1ACHE
SCHEMBL18214676 0.82 CA1 (0.59) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL168768 0.82 CA1 (0.69) CA1CA2CES2CES1ACHE
Dimethyl 4-Nitrophenyl Phosphate SCHEMBL901276 0.81 CA1 (0.68) CA1CA2CES2CES1ACHE

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2026-05-21 US disclosed
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof INSTITUT CURIE (FR) 2026-01-20 US disclosed
EP-3856164-B1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS ACHILLION PHARMACEUTICALS INC (US) 2024-08-07 EP disclosed
US-11807627-B2 Morphic forms of complement factor D inhibitors Achillon Pharmaceuticals, Inc. (US) 2023-11-07 US disclosed
US-20220233673-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2022-07-28 US disclosed
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 EP disclosed
US-20210332026-A1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS ACHILLION PHARMACEUTICALS, INC. (US) 2021-10-28 US disclosed
EP-3856164-A1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS Achillion Pharmaceuticals, Inc. (US) 2021-08-04 EP disclosed
CN-112996497-A Morphic forms of complement factor D inhibitors 艾其林医药公司 2021-06-18 CN disclosed
WO-2020245321-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2020-12-10 WO disclosed
WO-2020069024-A1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS ACHILLION PHARMACEUTICALS, INC. (US) 2020-04-02 WO disclosed
US-9227937-B2 Phenoxyalkyl pyridinium oxime therapeutics for treatment of organophosphate poisoning MISSISSIPPI STATE UNIVERSITY (US) 2016-01-05 US disclosed
US-20130172393-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING MISSISSIPPI STATE UNIVERSITY 2013-07-04 US disclosed
US-20110071334-A1 FOAMING DECONTAMINATING AQUEOUS SOLUTION COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-24 US disclosed
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 WO disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 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 (6 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-20130172393-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING PNPO, PLPBP, PDXK CA1 3257/4885CA2 367/4885CES2 219/4885
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof STXBP1, RNGTT, UPF1 CA1 4068/4885CA2 4557/4885CES2 4876/4885
US-11807627-B2 Morphic forms of complement factor D inhibitors CFD, CFH, CFB CA1 4405/4885CA2 4111/4885CES2 4867/4885
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF STXBP1, HBB, UPF1 CA1 3497/4885CA2 4336/4885CES2 4879/4885
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 CA1 2945/4885CA2 1802/4885CES2 133/4885
US-20210332026-A1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS CFD, CFH, CFB CA1 4405/4885CA2 4111/4885CES2 4867/4885

“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.