SCHEMBL167965

SCHEMBL167965

COc1cccc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.45
AR P10275 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL30542564 1.00 TDP1 (0.61) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL8373474 0.93 TDP1 (0.54) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL104452 0.86 PKM (0.59) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL29740471 0.86 PKM (0.59) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL4869351 0.85 TDP1 (0.50) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL5792626 0.84 TSHR (0.48) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL1977244 0.83 HPGD (0.49) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL2521491 0.83 HPGD (0.52) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL16955551 0.83 TDP1 (0.50) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL9747035 0.82 TDP1 (0.56) TDP1L3MBTL1KDM4EPOLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-05-29 US disclosed
EP-4479056-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF Merck Sharp & Dohme LLC (US) 2024-12-25 EP disclosed
WO-2024127363-A1 TYK2 PSEUDOKINASE LIGANDS AND USES THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2024-06-20 WO disclosed
WO-2023158626-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-24 WO disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
EP-2718284-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 WO disclosed
EP-2611300-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
EP-0966476-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-12-29 EP disclosed
EP-0897915-A1 QUINAZOLINONE CONPOUNDS AS CHEMOTHERAPEUTIC AGENTS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-02-24 EP disclosed
WO-1998033802-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-08-06 WO disclosed
US-5756510-A POTENTIATE EFFECTS OF CYTOTOXIC DRUGS OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-26 US disclosed
EP-0628032-B1 QUINAZOLINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1998-05-13 EP disclosed
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP disclosed
US-5482941-A Quinazolinone antianginal agents PFIZER INC. (US) 1996-01-09 US disclosed
WO-1995024379-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1995-09-14 WO disclosed
EP-0628032-A1 QUINAZOLINONE ANTIANGINAL AGENTS Pfizer Limited (GB) 1994-12-14 EP disclosed
WO-1993012095-A1 QUINAZOLINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-06-24 WO 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD TDP1 1983/4885L3MBTL1 3190/4885KDM4E 2891/4885
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF ADORA2A, ADORA2B, ADORA1 TDP1 2272/4885L3MBTL1 4324/4885KDM4E 3489/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD TDP1 1983/4885L3MBTL1 3190/4885KDM4E 2891/4885

“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.