SCHEMBL5446244

SCHEMBL5446244

COc1cccc2c(=O)c3c(O)cc(N4CCOCC4)cc3oc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.64
PRKDC P78527 5/20 0.55
ACHE P22303 1/20 0.52
MAOB P27338 1/20 0.52
ATP1A1 P05023 1/20 0.48
ATP1B1 P05026 1/20 0.48
ATP1A3 P13637 1/20 0.48
ATP1B2 P14415 1/20 0.48
ATP1A2 P50993 1/20 0.48
ATP1B3 P54709 1/20 0.48
FXYD2 P54710 1/20 0.48
ATP1A4 Q13733 1/20 0.48
TOP2A P11388 3/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL14802155 0.88 MAOA (0.49) MAOAPRKDCACHEMAOBATP1A1
SCHEMBL14802152 0.88 MAOA (0.49) MAOAPRKDCACHEMAOBATP1A1
SCHEMBL14447677 0.87 PRKDC (0.48) MAOAPRKDCACHEMAOBATP1A1
SCHEMBL5446315 0.87 MAOA (0.64) MAOAPRKDCACHEMAOBATP1A1
SCHEMBL5446303 0.84 PRKDC (0.53) MAOAPRKDCACHEMAOBATP1A1
SCHEMBL5348538 0.82 MAOA (0.83) MAOAACHEMAOBATP1A1ATP1B1
SCHEMBL30346290 0.82 MAOA (0.83) MAOAACHEMAOBATP1A1ATP1B1
SCHEMBL14468610 0.81 MAOA (0.43) MAOAPRKDCACHEMAOBATP1A1
SCHEMBL5448683 0.80 PRKDC (0.49) MAOAPRKDCACHEMAOBATP1A1
SCHEMBL5454434 0.80 MGAM (0.63) MAOAPRKDCKDM4EALDH1A1LMNA

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 8 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-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
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 MAOA 4539/4885PRKDC 12/4885ACHE 4183/4885

“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.