SCHEMBL5886475

SCHEMBL5886475

O=C(O)c1cccc2nc3ccc4c(CO)cccc4c3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
RAD52 P43351 1/20 0.38
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
PTGER4 P35408 1/20 0.36
PDE10A Q9Y233 2/20 0.36
DHODH Q02127 1/20 0.36
CDC25B P30305 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
CASP1 P29466 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
SCHEMBL5886240 0.83 ALDH1A1 (0.59) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL5886268 0.82 ALDH1A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL5886331 0.82 ALDH1A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL5886397 0.82 ALDH1A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3RAD52
SCHEMBL5886249 0.82 ALDH1A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3RAD52
SCHEMBL5886290 0.82 ALDH1A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL5886451 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2A
SCHEMBL5886390 0.80 ALDH1A1 (0.68) ALDH1A1NR4A1NR4A2NR4A3RAD52
SCHEMBL5886499 0.78 ALDH1A1 (0.57) ALDH1A1NR4A1NR4A2NR4A3RAD52
SCHEMBL5886349 0.78 ALDH1A1 (0.54) ALDH1A1NR4A1NR4A2NR4A3RAD52

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-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US claimed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US claimed
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 claimed
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 ALDH1A1 3766/4885NR4A1 51/4885NR4A2 142/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885NR4A1 77/4885NR4A2 292/4885

“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.