SCHEMBL10025913

SCHEMBL10025913

COC(=O)C1Cc2nc[nH]c2C(c2cccc(Cl)c2Cl)N1C(=O)c1cc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.39
TSHR P16473 3/20 0.36
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
PLEC Q15149 1/20 0.31
FFAR2 O15552 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL10025900 1.00 PDE5A (0.39) PDE5ATSHRHSP90AA1HSP90AB1MAPT
SCHEMBL10025901 1.00 PDE5A (0.39) PDE5ATSHRHSP90AA1HSP90AB1MAPT
SCHEMBL10025911 0.93 PDE5A (0.36) PDE5ATSHR
SCHEMBL13822083 0.90 TSHR (0.33) TSHRSLC6A2SLC6A4SLC6A3POLB
SCHEMBL10025899 0.90 TSHR (0.34) TSHRFFAR2POLB
SCHEMBL10025898 0.90 TSHR (0.34) TSHRFFAR2POLB
SCHEMBL10025912 0.82 FFAR2 (0.33) TSHRFFAR2POLB
SCHEMBL10025902 0.82 FFAR2 (0.33) TSHRFFAR2POLB
SCHEMBL10025903 0.82 FFAR2 (0.33) TSHRFFAR2POLB
SCHEMBL10025893 0.77 P2RX7 (0.38) TSHRPOLB

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 PDE5A 1280/4885TSHR 4249/4885HSP90AA1 1397/4885

“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.