SCHEMBL2839007

SCHEMBL2839007

O=C(OCc1ccccc1)c1cn(C2CC2)c2c(OC[C@H]3C[C@@](O)(CO)CN3)c(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.45
GSK3B P49841 2/20 0.42
TOP2A P11388 4/20 0.39
TOP2B Q02880 4/20 0.39
ADRB2 P07550 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KCNH2 Q12809 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
OPRM1 P35372 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
CLK2 P49760 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL584801 1.00 STAT3 (0.45) STAT3GSK3BTOP2ATOP2BADRB2
SCHEMBL2840284 1.00 STAT3 (0.45) STAT3GSK3BTOP2ATOP2BADRB2
SCHEMBL2840027 1.00 STAT3 (0.45) STAT3GSK3BTOP2ATOP2BADRB2
Hydrochloric Acid SCHEMBL2846598 0.99 STAT3 (0.44) STAT3GSK3BTOP2ATOP2BADRB2
Hydrochloric Acid SCHEMBL2881303 0.99 STAT3 (0.44) STAT3GSK3BTOP2ATOP2BADRB2
Hydrochloric Acid SCHEMBL2841094 0.99 STAT3 (0.44) STAT3GSK3BTOP2ATOP2BADRB2
Hydrochloric Acid SCHEMBL584800 0.99 STAT3 (0.44) STAT3GSK3BTOP2ATOP2BADRB2
SCHEMBL2845823 0.92 GSK3B (0.39) STAT3GSK3BTOP2ATOP2BADRB2
Hydrochloric Acid SCHEMBL2843272 0.91 GSK3B (0.39) STAT3GSK3BTOP2ATOP2BADRB2
SCHEMBL584783 0.89 STAT3 (0.45) STAT3ALDH1A1KDM4ETDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US claimed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 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 (1 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-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 STAT3 4545/4885GSK3B 4330/4885TOP2A 4672/4885

“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.