SCHEMBL7066262

SCHEMBL7066262

COc1cccc2c1ccc1nc3ccc(O)c(C(=O)N[C@H](CO)CN(C)C)c3nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TACR3 P29371 1/20 0.36
RAD52 P43351 3/20 0.36
SMARCA2 P51531 1/20 0.36
ADORA2A P29274 3/20 0.35
GCGR P47871 6/20 0.34
UHRF1 Q96T88 1/20 0.33
BACE1 P56817 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL7066812 0.93 RAD52 (0.39) TAS1R3TAS1R1TACR3RAD52SMARCA2
SCHEMBL5886404 0.77 CA12 (0.45) GCGR
SCHEMBL23583616 0.76 RAD52 (0.48) TAS1R3TAS1R1TACR3RAD52SMARCA2
SCHEMBL29406105 0.76 RAD52 (0.48) TAS1R3TAS1R1TACR3RAD52SMARCA2
SCHEMBL5886288 0.74 RAD52 (0.47) TAS1R3TAS1R1TACR3RAD52SMARCA2
SCHEMBL5886396 0.74 RAD52 (0.47) TAS1R3TAS1R1TACR3RAD52SMARCA2
SCHEMBL5886247 0.70 CA12 (0.51)
SCHEMBL5886242 0.69 IDO1 (0.40) ADORA2A
SCHEMBL5886280 0.69 ABL1 (0.39) ADORA2A
SCHEMBL23583615 0.69 KMT2A (0.35) RAD52SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B TAS1R3 4053/4885TAS1R1 3054/4885TACR3 2680/4885

“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.