SCHEMBL21820192

SCHEMBL21820192

Cn1c(=O)cnc2ccc(F)c(CC=O)c21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.33
ALDH1A1 P00352 7/20 0.33
HSD17B10 Q99714 4/20 0.33
CYP2C19 P33261 4/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
USP2 O75604 3/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 3/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 3/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL30366404 0.89
SCHEMBL21820230 0.89
SCHEMBL21883631 0.88 CYP1A2 (0.33) CYP1A2ALDH1A1HSD17B10CYP2C19CASP1
SCHEMBL25015259 0.79 CYP1A2 (0.39) CYP1A2ALDH1A1HSD17B10CYP2C19CASP1
SCHEMBL23084964 0.78 CTSL (0.35) CYP1A2ALDH1A1HSD17B10CYP2C19CASP1
SCHEMBL3095607 0.78 TRPA1 (0.31)
SCHEMBL21820317 0.77 NCOA1 (0.33) MEN1KMT2A
SCHEMBL30236867 0.77 NCOA1 (0.33) MEN1KMT2A
SCHEMBL21883271 0.77 ALDH1A1 (0.37) CYP1A2ALDH1A1HSD17B10CYP2C19CASP1
SCHEMBL3102060 0.77 BRPF1 (0.35)

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 12 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
CN-110382505-B Heterocyclic compounds useful as antibacterial agents and process for producing the same 巴格沃克斯研究有限公司 2023-04-04 CN 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
EP-3634968-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF BUGWORKS RES INC (US) 2023-01-25 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
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-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof Bugworks Research, Inc. (US) 2021-02-09 US 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
US-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF Bugworks Research, Inc. 2020-03-19 US disclosed
US-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF Bugworks Research, Inc. 2020-03-19 US 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 (4 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 CYP1A2 753/4885ALDH1A1 1655/4885HSD17B10 1170/4885
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS HLA-B, BAX, REN CYP1A2 525/4885ALDH1A1 2677/4885HSD17B10 1276/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN CYP1A2 525/4885ALDH1A1 2677/4885HSD17B10 1276/4885
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof UROD, ALPI, HLA-A CYP1A2 753/4885ALDH1A1 1655/4885HSD17B10 1170/4885

“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.