SCHEMBL5886306

SCHEMBL5886306

CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCC(=O)OC(C)(C)C)cccc4c3nc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.57
SMARCA2 P51531 1/20 0.55
AOX1 Q06278 1/20 0.46
UHRF1 Q96T88 2/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLR1A O95602 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.38
MOK Q9UQ07 1/20 0.37
HTR6 P50406 2/20 0.37
TLR7 Q9NYK1 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
SCHEMBL5886332 0.89 RAD52 (0.58) RAD52SMARCA2AOX1UHRF1ALDH1A1
Trifluoroacetic Acid SCHEMBL5886437 0.85 RAD52 (0.56) RAD52SMARCA2AOX1UHRF1ALDH1A1
SCHEMBL5886330 0.83 RAD52 (0.64) RAD52SMARCA2AOX1UHRF1ALDH1A1
SCHEMBL5886310 0.81 TSHR (0.35) RAD52SMARCA2ALDH1A1KDM4ETLR7
SCHEMBL5886543 0.80 RAD52 (0.61) RAD52SMARCA2AOX1UHRF1ALDH1A1
SCHEMBL5886244 0.80 RAD52 (0.67) RAD52SMARCA2AOX1UHRF1ALDH1A1
SCHEMBL5886272 0.79 RAD52 (0.70) RAD52SMARCA2AOX1UHRF1ALDH1A1
SCHEMBL5886529 0.79 RAD52 (0.78) RAD52SMARCA2AOX1UHRF1ALDH1A1
SCHEMBL7063204 0.79 RAD52 (0.69) RAD52SMARCA2AOX1UHRF1ALDH1A1
SCHEMBL8224795 0.76 RAD52 (0.85) RAD52SMARCA2AOX1UHRF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A RAD52 2083/4885SMARCA2 1543/4885AOX1 1216/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B RAD52 60/4885SMARCA2 1456/4885AOX1 325/4885

“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.