SCHEMBL22490612

SCHEMBL22490612

CCOC(COc1c(F)ccc2nc(C)c(=O)n(C)c12)OCC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GLA P06280 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2D6 P10635 2/20 0.34
USP2 O75604 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 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
SCHEMBL22490629 0.81 MEN1 (0.32) CYP1A2ALDH1A1TSHRMEN1KMT2A
SCHEMBL22490597 0.79 ALDH1A1 (0.38) CYP1A2ALDH1A1TSHRMAPK1MEN1
SCHEMBL22490631 0.77 PKM (0.33) MEN1KMT2A
SCHEMBL25493161 0.77 CYP1A2 (0.36) CYP1A2ALDH1A1TSHRMAPK1MEN1
SCHEMBL22490589 0.74 CYP19A1 (0.48) CYP1A2ALDH1A1TSHRMAPK1MEN1
SCHEMBL22490588 0.69 ALDH1A1 (0.41) CYP1A2ALDH1A1TSHRMAPK1MEN1
SCHEMBL21820229 0.69 ALDH1A1 (0.41) CYP1A2ALDH1A1TSHRMAPK1MEN1
SCHEMBL30448226 0.69 ALDH1A1 (0.41) CYP1A2ALDH1A1TSHRMAPK1MEN1
SCHEMBL22490592 0.68 NPBWR1 (0.31)
SCHEMBL21883271 0.67 ALDH1A1 (0.37) CYP1A2ALDH1A1TSHRMAPK1MEN1

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 CYP1A2 525/4885ALDH1A1 2677/4885TSHR 4146/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN CYP1A2 525/4885ALDH1A1 2677/4885TSHR 4146/4885

“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.