SCHEMBL22490585

SCHEMBL22490585

Cn1c(=O)ccc2ncc(Cl)c(OCC=O)c21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.32
CYP1A2 P05177 1/20 0.31
TRPA1 O75762 2/20 0.31
CYP19A1 P11511 1/20 0.30
NQO2 P16083 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL30448900 1.00 SRC (0.32) SRCCYP1A2TRPA1CYP19A1NQO2
SCHEMBL25492929 0.80 WEE1 (0.36)
SCHEMBL23084964 0.79 CTSL (0.35) CYP1A2
SCHEMBL3095607 0.78 TRPA1 (0.31) TRPA1
SCHEMBL22490592 0.78 NPBWR1 (0.31) TRPA1
SCHEMBL22490622 0.75
SCHEMBL30448223 0.75
SCHEMBL3379795 0.75 RORC (0.38) SRC
SCHEMBL3379792 0.75 RORC (0.38) SRC
SCHEMBL3095502 0.73 TRPA1 (0.32) TRPA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527093-B Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2023-06-09 CN disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP disclosed
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis Bugworks Research, Inc. (US) 2022-08-02 US disclosed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 US disclosed
EP-3717490-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. (US) 2020-10-07 EP disclosed
CN-111527093-A Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2020-08-11 CN 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-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS HLA-B, BAX, REN SRC 3271/4885CYP1A2 525/4885TRPA1 500/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN SRC 3271/4885CYP1A2 525/4885TRPA1 500/4885

“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.