SCHEMBL5886447

SCHEMBL5886447

COC(=O)c1cccc2nc3ccc4ccccc4c3nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 1/20 0.54
ATM Q13315 1/20 0.54
RAD52 P43351 1/20 0.54
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK8 P45983 2/20 0.45
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
MEN1 O00255 4/20 0.44
ALOX12 P18054 1/20 0.44
TSHR P16473 1/20 0.44
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL13653391 0.84 KMT2A (0.68) KMT2AKDM4EGAAATMMAPT
SCHEMBL5886260 0.83 KMT2A (0.51) KMT2AKDM4EGAAATMRAD52
SCHEMBL5886390 0.82 ALDH1A1 (0.68) KMT2AKDM4ERAD52ALDH1A1MEN1
SCHEMBL71209 0.82 KDM4E (0.74) KMT2AKDM4EGAAATMRAD52
SCHEMBL5886386 0.81 GAA (0.47) KMT2AKDM4EGAAATMRAD52
SCHEMBL5886256 0.81 RAD52 (0.51) KDM4EGAARAD52ALDH1A1
SCHEMBL5886308 0.81 ALDH1A1 (0.54) KMT2AKDM4EGAAATMRAD52
SCHEMBL5886270 0.81 GAA (0.52) KMT2AKDM4EGAAATMRAD52
SCHEMBL15255336 0.80 KDM4E (0.59) KMT2AKDM4EGAAATMRAD52
SCHEMBL28273055 0.80 KDM4E (0.59) KMT2AKDM4EGAAATMMAPT

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 KMT2A 3473/4885KDM4E 3704/4885GAA 3758/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B KMT2A 2184/4885KDM4E 1785/4885GAA 1650/4885

“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.