SCHEMBL10025893

SCHEMBL10025893

O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCc2nc[nH]c2C1c1cccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
HTT P42858 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GRIN2C Q14957 1/20 0.35
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
STAT3 P40763 1/20 0.34
RAB9A P51151 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
SCHEMBL10025892 0.90 P2RX7 (0.39) P2RX7GRIN2C
SCHEMBL10025895 0.86 ALDH1A1 (0.39) TSHRABCG2PTGDR2GRIN2CKDM4E
SCHEMBL10025899 0.81 TSHR (0.34) POLBTSHRHTTCNR2
SCHEMBL10025898 0.81 TSHR (0.34) POLBTSHRHTTCNR2
SCHEMBL13822083 0.79 TSHR (0.33) POLBTSHRHTTCNR2
SCHEMBL10025908 0.78 P2RX7 (0.36) P2RX7POLBTSHRPTGDR2GRIN2C
SCHEMBL10025900 0.77 PDE5A (0.39) POLBTSHR
SCHEMBL10025913 0.77 PDE5A (0.39) POLBTSHR
SCHEMBL10025901 0.77 PDE5A (0.39) POLBTSHR
SCHEMBL10025896 0.77 PTGDR2 (0.46) P2RX7POLBTSHRPTGDR2

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 P2RX7 1334/4885POLB 603/4885TSHR 4249/4885

“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.