SCHEMBL21409401

SCHEMBL21409401

NCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51

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
SCHEMBL21409398 1.00 KCNH2 (0.51) KCNH2
SCHEMBL21428570 1.00 KCNH2 (0.51) KCNH2
SCHEMBL30393246 1.00 KCNH2 (0.51) KCNH2
Trifluoroacetic Acid SCHEMBL23856757 0.92 KCNH2 (0.50) KCNH2
SCHEMBL21883278 0.91 KCNH2 (0.52) KCNH2
SCHEMBL30047499 0.91 KCNH2 (0.52) KCNH2
SCHEMBL23856765 0.91 KCNH2 (0.52) KCNH2
SCHEMBL21820245 0.91 KCNH2 (0.52) KCNH2
SCHEMBL23084922 0.90 KCNH2 (0.54) KCNH2
SCHEMBL21820193 0.90 KCNH2 (0.54) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP claimed
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis Bugworks Research, Inc. (US) 2022-08-02 US claimed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 US claimed
EP-3717490-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. (US) 2020-10-07 EP claimed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP disclosed
US-11590142-B2 Oxazolidinone antibiotic compounds and process of preparation Bugworks Research, Inc. (US) 2023-02-28 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
EP-3634968-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF BUGWORKS RES INC (US) 2023-01-25 EP disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 US disclosed
EP-3774790-A1 OXAZOLIDINONE ANTIBIOTIC COMPOUNDS AND PROCESS OF PREPARATION Bugworks Research, Inc. (US) 2021-02-17 EP disclosed
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof Bugworks Research, Inc. (US) 2021-02-09 US disclosed
US-20210008078-A1 OXAZOLIDINONE ANTIBIOTIC COMPOUNDS AND PROCESS OF PREPARATION Bugworks Research, Inc. 2021-01-14 US disclosed
EP-3717490-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. (US) 2020-10-07 EP disclosed
US-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF Bugworks Research, Inc. 2020-03-19 US disclosed
WO-2019186590-A1 OXAZOLIDINONE ANTIBIOTIC COMPOUNDS AND PROCESS OF PREPARATION BUGWORKS RESEARCH INDIA PVT LTD (IN) 2019-10-03 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 (7 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-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF UROD, ALPI, HLA-A KCNH2 4682/4885
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS HLA-B, BAX, REN KCNH2 3099/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN KCNH2 3099/4885
US-11590142-B2 Oxazolidinone antibiotic compounds and process of preparation ALPI, OXA1L, ALPL KCNH2 4322/4885
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof UROD, ALPI, HLA-A KCNH2 4682/4885
US-20210008078-A1 OXAZOLIDINONE ANTIBIOTIC COMPOUNDS AND PROCESS OF PREPARATION ALPI, OXA1L, ROR1 KCNH2 4586/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 KCNH2 1514/4885

“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.