SCHEMBL2706569

SCHEMBL2706569

COc1ccc2ccc(COc3ccc(F)c(C(N)=O)c3F)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.43
▸ CYSLTR1 Q9Y271 5/20 0.42
▸ CYSLTR2 Q9NS75 4/20 0.42
▸ PDE10A Q9Y233 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ ALOX5AP P20292 3/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 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
SCHEMBL2707204 0.93 KDM4E (0.42) HPGDSCYSLTR1CYSLTR2PDE10APPARG
SCHEMBL2707218 0.87 CYSLTR1 (0.39) CYSLTR1CYSLTR2PDE10APPARGGRM2
SCHEMBL2704592 0.86 MRGPRX4 (0.41) CYSLTR1CYSLTR2
SCHEMBL202543 0.83 GPBAR1 (0.48) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL2705942 0.82 CYSLTR1 (0.40) CYSLTR1CYSLTR2PPARGGPBAR1
SCHEMBL2705947 0.81 MRGPRX4 (0.41) —
SCHEMBL2704604 0.81 NPC1 (0.44) —
SCHEMBL201760 0.78 HSD17B1 (0.45) LMNAHTT
SCHEMBL2705819 0.77 ALDH1A1 (0.53) LMNA
SCHEMBL2705627 0.77 MRGPRX4 (0.40) CYSLTR1CYSLTR2PPARGGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 — — US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 — — US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 — — US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 — — US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 — — US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 — — US disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 — — 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 (3 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 HPGDS 3511/4885CYSLTR1 1752/4885CYSLTR2 2337/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HPGDS 3346/4885CYSLTR1 1257/4885CYSLTR2 1644/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HPGDS 3346/4885CYSLTR1 1257/4885CYSLTR2 1644/4885

“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.

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