SCHEMBL10025905

SCHEMBL10025905

O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCc2sccc2C1c1cccc(Cl)c1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.48
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD1 P21728 1/20 0.44
HHAT Q5VTY9 2/20 0.43

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
SCHEMBL10025904 0.91 MAPK1 (0.47) LHCGRMAPK1NPSR1DRD1HHAT
SCHEMBL13822084 0.89 DRD1 (0.47) LHCGRMAPK1NPSR1DRD1HHAT
SCHEMBL10025907 0.86 OPRD1 (0.38) LHCGRDRD1
SCHEMBL10025906 0.77 OPRD1 (0.39) MAPK1NPSR1DRD1
SCHEMBL13822113 0.75 OPRD1 (0.38) MAPK1NPSR1DRD1HHAT
SCHEMBL13809005 0.69 KIF11 (0.50) DRD1
SCHEMBL13809019 0.68 GRIN2C (0.44)
SCHEMBL10025896 0.68 PTGDR2 (0.46)
SCHEMBL10025893 0.67 P2RX7 (0.38)
SCHEMBL13809007 0.67 GRIN2C (0.43) NPSR1

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 4 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

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 LHCGR 4506/4885MAPK1 1787/4885NPSR1 4222/4885

“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.