SCHEMBL10025895

SCHEMBL10025895

COc1cccc(C2c3[nH]cnc3CCN2C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN2C Q14957 2/20 0.36
HSD11B1 P28845 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 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
SCHEMBL10025894 0.89 MAPT (0.41) ALDH1A1SMN1; SMN2L3MBTL1TSHRHSD11B1
SCHEMBL10025893 0.86 P2RX7 (0.38) ALDH1A1TSHRGRIN2CABCG2KDM4E
SCHEMBL10025892 0.78 P2RX7 (0.39) GRIN2C
SCHEMBL13809007 0.72 GRIN2C (0.43) ALDH1A1TSHRNPSR1GRIN2CABCB1
SCHEMBL13822114 0.71 HCRTR1 (0.33) MAPTTP53
SCHEMBL10025901 0.70 PDE5A (0.39) TSHRMAPT
SCHEMBL10025913 0.70 PDE5A (0.39) TSHRMAPT
SCHEMBL10025908 0.67 P2RX7 (0.36) TSHRGRIN2CPTGDR2
SCHEMBL10025896 0.66 PTGDR2 (0.46) TSHRPTGDR2
SCHEMBL13809019 0.66 GRIN2C (0.44) GRIN2CTP53

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 ALDH1A1 1163/4885SMN1; SMN2 4735/4885L3MBTL1 2549/4885

“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.