SCHEMBL1716919

SCHEMBL1716919

O=C(O)c1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TSHR P16473 1/20 0.50
GPR35 Q9HC97 2/20 0.48
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ATM Q13315 1/20 0.44
APEX1 P27695 1/20 0.44
CYP1A2 P05177 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1554602 0.86 TDP1 (0.75) TDP1L3MBTL1TSHRGPR35MAPT
SCHEMBL4693020 0.84 TDP1 (0.50) TDP1L3MBTL1TSHRGPR35MAPT
SCHEMBL19972044 0.84 TDP1 (0.49) TDP1L3MBTL1TSHRGPR35MAPT
SCHEMBL28811434 0.83 TDP1 (0.51) TDP1L3MBTL1TSHRALDH1A1LMNA
Hydrogen Sulfide SCHEMBL28004578 0.82 TDP1 (0.70) TDP1L3MBTL1TSHRGPR35MAPT
SCHEMBL17820543 0.81 L3MBTL1 (0.51) TDP1L3MBTL1TSHRMAPTALDH1A1
SCHEMBL4099183 0.80 TDP1 (0.49) TDP1L3MBTL1TSHRGPR35MAPT
SCHEMBL15869336 0.79 TDP1 (0.66) TDP1L3MBTL1TSHRGPR35MAPT
SCHEMBL7678865 0.79 TDP1 (0.66) TDP1L3MBTL1TSHRGPR35MAPT
SCHEMBL2081199 0.79 TDP1 (0.66) TDP1L3MBTL1TSHRGPR35MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063469-A Cycloalkenyl-pyridine group-containing compound 正大天晴药业集团股份有限公司 2024-05-24 CN disclosed
CN-114644638-B Nitrogen-containing heterocyclic compound and application thereof 广州华睿光电材料有限公司 2024-04-23 CN disclosed
CN-114685458-B Organic compound and application thereof 广州华睿光电材料有限公司 2024-03-08 CN disclosed
CN-114621237-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2023-12-05 CN disclosed
EP-2924021-B1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF UNIV SICHUAN (CN) 2019-08-28 EP disclosed
US-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 US disclosed
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 US disclosed
EP-2924021-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan University (CN) 2015-09-30 EP disclosed
CN-102924314-B Preparation method of 2-amino-6-nitrobenzoic acid LIANHE CHEMICAL TECHNOLOGY CO LTD 2015-02-25 CN disclosed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1724278-A1 NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS Kissei Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-4473650-A Use of strong organic acid polyelectrolyte salts in test means, test device and method for determining the ionic strength or specific gravity of a liquid sample MILES LABORATORIES, INC. (US) 1984-09-25 US disclosed
US-4421516-A Process for preparing discharge resist prints on hydrophobic textile materials CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-20 US disclosed
EP-0088996-A1 Process for the production of discharge resist prints on hydrophobic textile materials CASSELLA Aktiengesellschaft (DE) 1983-09-21 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 TDP1 2393/4885L3MBTL1 1747/4885TSHR 101/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 TDP1 4232/4885L3MBTL1 2929/4885TSHR 227/4885
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF FURIN, CD4, SI TDP1 1403/4885L3MBTL1 2075/4885TSHR 4818/4885

“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.