SCHEMBL5448683

SCHEMBL5448683

O=c1c2cccc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c2oc2cc(N3CCOCC3)cc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.49
MAOA P21397 4/20 0.43
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
PIK3CG P48736 1/20 0.40
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
KIF11 P52732 1/20 0.37
ESR2 Q92731 1/20 0.37
P2RY12 Q9H244 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL14468610 0.86 MAOA (0.43) PRKDCMAOAATP1A1ATP1B1ATP1A3
SCHEMBL14447677 0.85 PRKDC (0.48) PRKDCMAOAATP1A1ATP1B1ATP1A3
SCHEMBL14802155 0.84 MAOA (0.49) PRKDCMAOAATP1A1ATP1B1ATP1A3
SCHEMBL5454450 0.84 PRKDC (0.48) PRKDCMAOAGAA
SCHEMBL5448690 0.83 PRKDC (0.45) PRKDCMAOAATP1A1ATP1B1ATP1A3
SCHEMBL5446244 0.80 MAOA (0.64) PRKDCMAOAATP1A1ATP1B1ATP1A3
SCHEMBL5451016 0.79 PRKDC (0.41) PRKDCPIK3CGP2RY12ATM
SCHEMBL5440522 0.78 PRKDC (0.48) PRKDCGAA
SCHEMBL5446315 0.78 MAOA (0.64) PRKDCMAOAATP1A1ATP1B1ATP1A3
SCHEMBL14802146 0.78 PRKDC (0.47) PRKDCMAOAGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1660473-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS Luitpold Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
WO-2004085418-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS LUITPOLD PHARMACEUTICALS, INC. (US) 2004-10-07 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-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors DCK, DTYMK, XPA PRKDC 12/4885MAOA 4539/4885ATP1A1 2525/4885

“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.