SCHEMBL21883631

SCHEMBL21883631

C=CCc1c(F)ccc2ncc(=O)n(C)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2C19 P33261 3/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 2/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CYP2D6 P10635 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL30236867 0.89 NCOA1 (0.33) NCOA1NCOA3MEN1KMT2AKDM4E
SCHEMBL21820317 0.89 NCOA1 (0.33) NCOA1NCOA3MEN1KMT2AKDM4E
SCHEMBL21820192 0.88 CYP1A2 (0.33) CYP1A2ALDH1A1CYP2C19HPGDCASP1
SCHEMBL21820181 0.77 ALDH1A1 (0.36) CYP1A2ALDH1A1HPGDCASP1CASP7
SCHEMBL3094072 0.77 KDM4E (0.37) ALDH1A1HPGDNCOA1NCOA3MEN1
SCHEMBL21820230 0.77
SCHEMBL30366404 0.77
SCHEMBL25015259 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1CYP2C19HPGDCASP1
SCHEMBL18544277 0.74 CYP1A2 (0.36) CYP1A2ALDH1A1CYP2C19HPGDCASP1
SCHEMBL22490596 0.74 CYP1A2 (0.36) CYP1A2ALDH1A1CYP2C19HPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof Bugworks Research, Inc. (US) 2021-02-09 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 (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-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF UROD, ALPI, HLA-A CYP1A2 753/4885ALDH1A1 1655/4885CYP2C19 519/4885
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof UROD, ALPI, HLA-A CYP1A2 753/4885ALDH1A1 1655/4885CYP2C19 519/4885

“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.