SCHEMBL22690002

SCHEMBL22690002

COC(=O)c1c(C)cc(C)nc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACHE P22303 1/20 0.47
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CASP1 P29466 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL11607443 0.87 ALDH1A1 (0.59) POLBALDH1A1HPGDCYP3A4MAPK1
SCHEMBL27606177 0.84 POLB (0.41) POLBALDH1A1HPGDCYP3A4ACHE
SCHEMBL12062308 0.84 POLB (0.51) POLBALDH1A1HPGDCYP3A4MAPK1
SCHEMBL1085064 0.83 POLB (0.47) POLBALDH1A1HPGDCYP3A4MAPK1
SCHEMBL5013636 0.82 POLB (0.73) POLBALDH1A1HPGDMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5012185 0.81 POLB (0.71) POLBALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL22689984 0.80 ALDH1A1 (0.65) POLBALDH1A1HPGDCYP3A4MAPK1
SCHEMBL2097324 0.79 POLB (0.44) POLBALDH1A1HPGDCYP3A4ACHE
SCHEMBL10415523 0.79 KDM4E (0.53) POLBALDH1A1HPGDCYP3A4MAPK1
SCHEMBL27611644 0.76 ALDH1A1 (0.46) POLBALDH1A1HPGDCYP3A4MAPK1

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 POLB 122/4885ALDH1A1 1817/4885HPGD 458/4885

“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.