SCHEMBL5440694

SCHEMBL5440694

O=c1c2ccc(O)cc2oc2cc(N3CCOCC3)cc(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.55
MGAM O43451 4/20 0.54
MAOA P21397 3/20 0.54
FASN P49327 2/20 0.54
ESR2 Q92731 5/20 0.52
ESR1 P03372 4/20 0.52
HSD17B1 P14061 1/20 0.52
AHR P35869 1/20 0.52
HSD17B2 P37059 1/20 0.52
GAA P10253 3/20 0.51
SI P14410 2/20 0.51
MGAM2 Q2M2H8 2/20 0.51
PTPN1 P18031 2/20 0.50
MMP1 P03956 1/20 0.50
ATP1A1 P05023 1/20 0.46
ATP1B1 P05026 1/20 0.46
ACE P12821 1/20 0.46
ATP1A3 P13637 1/20 0.46
ATP1B2 P14415 1/20 0.46
ATP1A2 P50993 1/20 0.46

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
SCHEMBL5781920 0.89 PRKDC (0.53) PRKDCMGAMMAOAFASNESR2
SCHEMBL5453418 0.88 PRKDC (0.52) PRKDCMGAMMAOAFASNESR2
SCHEMBL14802143 0.88 PRKDC (0.52) PRKDCMGAMMAOAFASNGAA
SCHEMBL5454434 0.86 MGAM (0.63) PRKDCMGAMMAOAFASNESR2
SCHEMBL5441394 0.86 PRKDC (0.50) PRKDCMGAMMAOAFASNGAA
SCHEMBL5444190 0.85 PRKDC (0.56) PRKDCMGAMMAOAESR2ESR1
SCHEMBL5456126 0.84 PRKDC (0.48) PRKDCMGAMMAOAFASNESR2
SCHEMBL14802145 0.82 PRKDC (0.47) PRKDCMGAMGAASIMGAM2
SCHEMBL5783171 0.82 PRKDC (0.49) PRKDCMGAMGAASIMGAM2
SCHEMBL5782473 0.82 PRKDC (0.49) PRKDCMAOAGAAKDM4EALDH1A1

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 PRKDC 12/4885MGAM 3500/4885MAOA 4539/4885

“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.