SCHEMBL10025906

SCHEMBL10025906

O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCc2ccsc2C1c1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
GRIN2C Q14957 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.36
DRD1 P21728 2/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL13822113 0.92 OPRD1 (0.38) OPRD1TSHRPOLBGRIN2CHSP90AA1
SCHEMBL10025907 0.91 OPRD1 (0.38) OPRD1TSHRPOLBHSP90AA1HCRTR1
SCHEMBL10025904 0.85 MAPK1 (0.47) DRD1MAPK1NPSR1
SCHEMBL10025896 0.79 PTGDR2 (0.46) TSHRPOLBPTGDR2
SCHEMBL13809005 0.78 KIF11 (0.50) TSHRPOLBGRIN2CHTTDRD1
SCHEMBL13822084 0.78 DRD1 (0.47) DRD1MAPK1NPSR1
SCHEMBL10025905 0.77 LHCGR (0.48) DRD1MAPK1NPSR1
SCHEMBL13809251 0.75 GRIN2C (0.49) GRIN2CHTTNPSR1
SCHEMBL10025893 0.74 P2RX7 (0.38) TSHRPOLBGRIN2CHTTPTGDR2
SCHEMBL13809007 0.73 GRIN2C (0.43) TSHRPOLBGRIN2CHTTNPSR1

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
US-8124616-B2 Bicyclic PPAT inhibitors as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-28 US disclosed
US-8124616-B2 Bicyclic PPAT inhibitors as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-28 US disclosed
US-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-08-13 US disclosed
US-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-08-13 US disclosed
WO-2009073534-A2 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-06-11 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-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS APRT, PPA1, GNPAT OPRD1 3925/4885TSHR 4249/4885POLB 603/4885

“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.