SCHEMBL3346855

SCHEMBL3346855

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.36
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 4/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
HPGD P15428 2/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B13 Q7Z5P4 4/20 0.35
CYP2C19 P33261 4/20 0.35
USP2 O75604 4/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.34
CLK4 Q9HAZ1 2/20 0.33
ERN1 O75460 2/20 0.33
PIK3CA P42336 2/20 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
SCHEMBL30448309 1.00 CYP1A2 (0.36) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL3374251 0.87 HSD17B13 (0.33) HSD17B13PIK3CAMAPT
SCHEMBL22490596 0.81 CYP1A2 (0.36) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL18544277 0.81 CYP1A2 (0.36) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL21321495 0.78 CYP1A2 (0.34) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL21820192 0.75 CYP1A2 (0.33) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL3095502 0.74 TRPA1 (0.32) HSD17B13MEN1MAPK1KMT2APIK3CA
SCHEMBL21883631 0.74 CYP1A2 (0.33) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL22655277 0.73 MAPT (0.46) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL22490588 0.73 ALDH1A1 (0.41) CYP1A2ALDH1A1HSD17B10CASP1CASP7

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 10 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
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 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 (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 2677/4885HSD17B10 1276/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN CYP1A2 525/4885ALDH1A1 2677/4885HSD17B10 1276/4885

“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.