SCHEMBL22490629

SCHEMBL22490629

CCOC(COc1c(F)ccc2ncc(=O)n(C)c12)OCC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PKM P14618 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
SCHEMBL22490631 0.81 PKM (0.33) MEN1KMT2APKM
SCHEMBL22490612 0.81 CYP1A2 (0.34) MEN1KMT2ACYP1A2ALDH1A1USP2
SCHEMBL22490592 0.81 NPBWR1 (0.31) PKM
SCHEMBL22490589 0.78 CYP19A1 (0.48) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL23084964 0.78 CTSL (0.35) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL21429504 0.73 CYP1A2 (0.44) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL21409426 0.73 CYP1A2 (0.41) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL30656857 0.73 CYP1A2 (0.41) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL22490617 0.73 PKM (0.33) CYP1A2CYP2C19TSHRPKM
SCHEMBL29712110 0.73 PKM (0.33) CYP1A2CYP2C19TSHRPKM

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 8 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
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 MEN1 1001/4885KMT2A 4842/4885CYP1A2 525/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN MEN1 1001/4885KMT2A 4842/4885CYP1A2 525/4885

“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.