SCHEMBL5452484

SCHEMBL5452484

CN(C)CCOC(=O)c1ccc2c(=O)c3c(O)cc(N4CCOCC4)cc3[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ALDH1A1 P00352 2/20 0.40
RAD52 P43351 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PRKDC P78527 1/20 0.39
FLT3 P36888 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 5/20 0.37
HSP90AB1 P08238 4/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
ATM Q13315 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
SCHEMBL5456141 0.87 SIRT2 (0.44) SIRT2SIRT1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5459622 0.75 PRKDC (0.45) PKMPRKDC
SCHEMBL5440644 0.73 PRKDC (0.55) ALDH1A1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL5441507 0.70 PRKDC (0.47) PRKDC
SCHEMBL5444194 0.66 PRKDC (0.45) ALDH1A1KMT2AKDM4EGAAPKM
SCHEMBL5442834 0.65 PRKDC (0.48) ALDH1A1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL10933561 0.64 CA12 (0.63) ALDH1A1RAD52MAPK1KDM4EGAA
Hydrochloric Acid SCHEMBL11864237 0.64 PARP1 (0.58) ALDH1A1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL5444208 0.64 NPC1 (0.48) RAD52KMT2APRKDCATM
SCHEMBL8963488 0.62 PHLPP2 (0.83) ALDH1A1RAD52MAPK1SMN1; SMN2KDM4E

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-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

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 SIRT2 4098/4885SIRT1 3826/4885ALDH1A1 3664/4885

“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.