SCHEMBL10025892

SCHEMBL10025892

Cc1ccc(C(=O)N2CCc3nc[nH]c3C2c2cccc(Cl)c2Cl)c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.39
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
NOTUM Q6P988 1/20 0.34
GRIN2C Q14957 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
SCHEMBL10025893 0.90 P2RX7 (0.38) P2RX7GRIN2C
SCHEMBL13822114 0.85 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL10025895 0.78 ALDH1A1 (0.39) GRIN2C
SCHEMBL13809241 0.77 GRIN2C (0.41) P2RX7HCRTR1HCRTR2GRIN2C
SCHEMBL13809243 0.75 KIF11 (0.53) P2RX7HCRTR1HCRTR2GRIN2C
SCHEMBL13822083 0.72 TSHR (0.33) NOTUM
SCHEMBL10025896 0.72 PTGDR2 (0.46) P2RX7
SCHEMBL10025901 0.70 PDE5A (0.39)
SCHEMBL10025913 0.70 PDE5A (0.39)
SCHEMBL10025897 0.68 P2RX7 (0.35) P2RX7GRIN2C

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 1334/4885HCRTR1 3981/4885HCRTR2 4710/4885

“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.