SCHEMBL6783818

SCHEMBL6783818

CCOC(=O)c1cn(C2CC2)c2c(F)c(F)ccc2c1=O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.47
▸ TOP2A P11388 6/20 0.46
▸ TOP2B Q02880 6/20 0.46
▸ HTT P42858 1/20 0.46
▸ STAT3 P40763 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL9148042 0.91 ADRB2 (0.55) ADRB2TDP1TOP2ATOP2BHTT
SCHEMBL115123 0.90 ADRB2 (0.54) ADRB2TDP1TOP2ATOP2BHTT
SCHEMBL4466378 0.89 ADRB2 (0.53) ADRB2TDP1TOP2ATOP2BHTT
SCHEMBL7507103 0.89 ADRB2 (0.55) ADRB2TDP1TOP2ATOP2BHTT
SCHEMBL116273 0.88 ADRB2 (0.52) ADRB2TDP1TOP2ATOP2BHTT
SCHEMBL2844967 0.87 ADRB2 (0.68) ADRB2TOP2ATOP2BHTTSTAT3
SCHEMBL29492858 0.87 ADRB2 (0.68) ADRB2TOP2ATOP2BHTTSTAT3
SCHEMBL8927420 0.87 ADRB2 (0.51) ADRB2TDP1TOP2ATOP2BHTT
SCHEMBL9145403 0.87 ADRB2 (0.47) ADRB2TDP1HTTSTAT3KMT2A
SCHEMBL9145398 0.87 ADRB2 (0.47) ADRB2TDP1HTTSTAT3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 — — EP disclosed
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 — — EP disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 — — US disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 — — EP disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 — — US disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 — — 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 (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-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B ADRB2 4210/4885TDP1 74/4885TOP2A 2/4885

“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.

Send feedback