SCHEMBL29968865

SCHEMBL29968865

CC(C)(C)OC(=O)N1CC(COc2ncc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
GPR119 Q8TDV5 5/20 0.38
KCNH2 Q12809 1/20 0.37
MET P08581 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 1/20 0.36
NR1H2 P55055 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
USP30 Q70CQ3 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL26590176 1.00 IDO1 (0.39) IDO1TDO2ALOX5APFEN1GPR119
SCHEMBL14285782 0.90 FNTA (0.43) IDO1TDO2ALOX5APFEN1GPR119
SCHEMBL26129697 0.85 RBP4 (0.33) ALDH1A1LMNAMAPT
SCHEMBL29969696 0.83 ALOX5AP (0.44) IDO1TDO2ALOX5APFEN1GPR119
SCHEMBL21513745 0.83 ALOX5AP (0.44) IDO1TDO2ALOX5APFEN1GPR119
SCHEMBL14190959 0.81 FNTA (0.44) IDO1TDO2ALOX5APFEN1GPR119
SCHEMBL26590177 0.79 HRH2 (0.43) KCNH2METALDH1A1LMNAMAPT
SCHEMBL29969656 0.78 PDE10A (0.41) GPR119KCNH2METALDH1A1LMNA
SCHEMBL26590306 0.78 PDE10A (0.41) GPR119KCNH2METALDH1A1LMNA
SCHEMBL29308759 0.78 ALOX5AP (0.44) IDO1TDO2ALOX5APFEN1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 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 (2 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 IDO1 2606/4885TDO2 2756/4885ALOX5AP 4595/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 IDO1 2606/4885TDO2 2756/4885ALOX5AP 4595/4885

“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.