SCHEMBL4300323

SCHEMBL4300323

COc1ccc2ncc(=O)n(CC(OC)OC)c2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.43
CYP3A4 P08684 13/20 0.43
ALDH1A1 P00352 8/20 0.43
MAPK1 P28482 4/20 0.43
KCNH2 Q12809 2/20 0.43
PDE10A Q9Y233 1/20 0.42
TSHR P16473 8/20 0.41
CYP2C19 P33261 8/20 0.41
USP2 O75604 6/20 0.41
CYP2C9 P11712 5/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1432243 0.84 P2RX3 (0.43) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL15850844 0.83 KCNH2 (0.42) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL15850814 0.83 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL12046238 0.81 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL18544236 0.81 KCNH2 (0.40) KCNH2PDE10ASMN1; SMN2HIF1A
SCHEMBL3777808 0.80 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL3844363 0.80 KCNH2 (0.43) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL15850862 0.79 KCNH2 (0.43) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL15850866 0.79 CYP1A2 (0.40) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2
SCHEMBL15850930 0.79 CYP1A2 (0.40) CYP1A2CYP3A4ALDH1A1MAPK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683307-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-16 US disclosed
US-10683307-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-16 US disclosed
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-05 US disclosed
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-05 US disclosed
US-10364254-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 US disclosed
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 WO disclosed
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 (5 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-10683307-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC CYP1A2 3905/4885CYP3A4 2837/4885ALDH1A1 2921/4885
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS MRPL21, CFTR, NRDC CYP1A2 3905/4885CYP3A4 2837/4885ALDH1A1 2921/4885
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS CFTR, MRPL21, CLPP CYP1A2 4380/4885CYP3A4 3048/4885ALDH1A1 3148/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ CYP1A2 1854/4885CYP3A4 704/4885ALDH1A1 3885/4885
US-10364254-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC CYP1A2 3905/4885CYP3A4 2837/4885ALDH1A1 2921/4885

“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.