SCHEMBL499218

SCHEMBL499218

COc1n[s+]([O-])nc1OC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12631734 0.84
SCHEMBL13405774 0.77
SCHEMBL9638686 0.64 CYP1A2 (0.31) CYP1A2
SCHEMBL8143101 0.62
SCHEMBL3533245 0.60 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP2C19
SCHEMBL15431588 0.56
SCHEMBL10959059 0.56
SCHEMBL5537467 0.54
SCHEMBL8213378 0.44 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8099138 0.42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374248-A ANTIHISTAMINES, ANTIULCER BRISTOL-MYERS COMPANY (US) 1983-02-15 US claimed
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
EP-4313938-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS Modernatx, Inc. (US) 2024-02-07 EP disclosed
CN-117377653-A Branched tail lipid compounds and compositions for intracellular delivery of therapeutic agents 摩登纳特斯有限公司 2024-01-09 CN disclosed
US-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2023-01-05 US disclosed
WO-2022204288-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2022-09-29 WO disclosed
WO-2022204288-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2022-09-29 WO disclosed
EP-4031527-A1 HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ModernaTX, Inc. (US) 2022-07-27 EP disclosed
EP-0112704-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 EP disclosed
EP-0112142-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-06-27 EP disclosed
EP-0111685-A1 Benzazoles as histamine H2 receptor antagonists Ikeda Mohando Co., Ltd. (JP) 1984-06-27 EP disclosed
WO-1984000544-A1 BICYCLIC NITROGEN HETEROCYCLIC ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-02-16 WO disclosed
EP-0099121-A2 Pharmaceutical compositions Bristol-Myers Company (US) 1984-01-25 EP disclosed
US-4394508-A ANTIULCER AND ANTISECRETORY AGENTS; HISTAMINE ANTAGONIST BRISTOL-MYERS COMPANY (US) 1983-07-19 US disclosed
US-4380639-A ANTIULCER AND ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4380638-A ANTIULCER AND ANTISECRETORY AGENTS; DERIVATIVES OF 3-AMINO-4-HET-A BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4374248-A ANTIHISTAMINES, ANTIULCER BRISTOL-MYERS COMPANY (US) 1983-02-15 US disclosed
EP-0065823-A1 Heterocyclic guanidines as histamine H-2 antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 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 (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-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PEBP1, PLTP ALDH1A1 4749/4885CYP1A2 4879/4885CYP2C19 4863/4885
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS PLTP, LNPK, PLIN3 ALDH1A1 4727/4885CYP1A2 4873/4885CYP2C19 4874/4885

“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.