SCHEMBL19554277

SCHEMBL19554277

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
GAA P10253 1/20 0.50
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
SNCA P37840 1/20 0.46
MGLL Q99685 2/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
HSPB1 P04792 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
SCHEMBL20729821 0.88 HTR2A (0.52) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL27404548 0.86 HTR2A (0.46) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL22430913 0.86 HTR2A (0.63) HTR2ABCL9CTNNB1GAAALDH1A1
SCHEMBL25565896 0.85 HTR2A (0.46) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL409598 0.83 HTR2A (0.59) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL30880314 0.82 HTR2A (0.56) HTR2AGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5526504 0.82 HTR2A (0.58) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL11301568 0.82 HTR2A (0.52) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL27410089 0.82 HTR2A (0.52) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL22430886 0.82 HTR2A (0.47) HTR2ABCL9CTNNB1GAAPTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606863-B2 Bioluminescent detection of DNA synthesis PROMEGA CORPORATION (US) 2026-04-21 US disclosed
US-20240208898-A1 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-06-27 US disclosed
US-20240208898-A1 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-06-27 US disclosed
EP-4337646-A1 BIOLUMINESCENT DETECTION OF DNA SYNTHESIS Promega Corporation (US) 2024-03-20 EP disclosed
EP-4313013-A2 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS Dana-Farber Cancer Institute, Inc. (US) 2024-02-07 EP disclosed
CN-117279629-A Enamine N-oxide: synthesis and use in hypoxia responsive prodrugs and imaging agents 达纳-法伯癌症研究所公司 2023-12-22 CN disclosed
US-20220396830-A1 BIOLUMINESCENT DETECTION OF DNA SYNTHESIS PROMEGA CORPORATION 2022-12-15 US disclosed
US-20220396830-A1 BIOLUMINESCENT DETECTION OF DNA SYNTHESIS PROMEGA CORPORATION 2022-12-15 US disclosed
WO-2022241249-A1 BIOLUMINESCENT DETECTION OF DNA SYNTHESIS PROMEGA CORPORATION (US) 2022-11-17 WO disclosed
WO-2022204344-A2 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-09-29 WO disclosed
US-10604547-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2020-03-31 US disclosed
US-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2019-11-05 US disclosed
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-05-16 US disclosed
EP-3452492-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE Novartis AG (CH) 2019-03-13 EP disclosed
WO-2017191579-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2017-11-09 WO disclosed
CN-103834002-B Based on sensitivity to acid Zorubicin prodrug and preparation method thereof and the application of polyoxyethylene glycol SUZHOU UNIVERSITY (CN) 2016-02-17 CN disclosed
CN-103834002-B Based on sensitivity to acid Zorubicin prodrug and preparation method thereof and the application of polyoxyethylene glycol SUZHOU UNIVERSITY (CN) 2016-02-17 CN disclosed
CN-103834002-A Preparation method and application of acid sensitive doxorubicin prodrug based on polyethylene glycol UNIV SOOCHOW 2014-06-04 CN 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-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase RNGTT, RNASE1, RNMT HTR2A 4518/4885BCL9 1207/4885CTNNB1 4536/4885
US-12606863-B2 Bioluminescent detection of DNA synthesis PCNA, MKI67, POLL HTR2A 2014/4885BCL9 419/4885CTNNB1 295/4885
US-10604547-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase RNGTT, RNASE1, RNMT HTR2A 4518/4885BCL9 1207/4885CTNNB1 4536/4885
US-20220396830-A1 BIOLUMINESCENT DETECTION OF DNA SYNTHESIS RNGTT, NUDT1, DNTT HTR2A 2293/4885BCL9 2222/4885CTNNB1 2521/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT HTR2A 4518/4885BCL9 1207/4885CTNNB1 4536/4885
US-20240208898-A1 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS ENO1, HIF1A, HIF1AN HTR2A 485/4885BCL9 3614/4885CTNNB1 4564/4885

“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.