SCHEMBL425745

SCHEMBL425745

COc1nc(Br)ccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.71
POLB P06746 2/20 0.71
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NNMT P40261 1/20 0.39
CDC25B P30305 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL2414594 0.85 POLB (0.51) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL426998 0.84 TDP1 (0.50) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL428407 0.84 NNMT (0.53) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL198490 0.83 TDP1 (1.00) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL29859234 0.83 TDP1 (1.00) TDP1POLBALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL10988320 0.81 TDP1 (0.96) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL27887589 0.81 POLB (0.47) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL21078996 0.79 TDP1 (0.68) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL30989958 0.79 POLB (0.68) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL5780074 0.79 POLB (0.68) TDP1POLBALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026081-B Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东有限责任公司 2025-02-11 CN disclosed
EP-3972965-B1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-07-03 EP disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-08-04 US disclosed
EP-3972965-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
CN-114026081-A Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东公司 2022-02-08 CN disclosed
WO-2020236692-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 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 (2 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-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS PRUNE1, G6PD, ACIN1 TDP1 336/4885POLB 122/4885ALDH1A1 1817/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 TDP1 4559/4885POLB 3481/4885ALDH1A1 1128/4885

“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.