SCHEMBL5886430

SCHEMBL5886430

O=C(O)c1cccc2nc3ccc4ccc(O)cc4c3nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
PTPN1 P18031 4/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GFER P55789 3/20 0.43
POLB P06746 3/20 0.43
PARP1 P09874 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL5886363 0.90 ALDH1A1 (0.56) ALDH1A1PTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL5886390 0.84 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4ENR4A1
SCHEMBL29337448 0.84 ALDH1A1 (0.73) ALDH1A1AKR1C3AKR1C2AKR1C1GFER
SCHEMBL29337447 0.84 ALDH1A1 (0.73) ALDH1A1AKR1C3AKR1C2AKR1C1GFER
Phenazine-1-Carboxylic Acid SCHEMBL23529403 0.82 ALDH1A1 (0.76) ALDH1A1AKR1C3AKR1C2AKR1C1GFER
SCHEMBL5886295 0.81 KDM4E (0.54) ALDH1A1POLBPARP1MEN1KMT2A
SCHEMBL5886301 0.80 ALDH1A1 (0.51) ALDH1A1PTPN1MAPTTDP1
SCHEMBL5886293 0.79 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AKDM4ENR4A1
SCHEMBL7799774 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL5886240 0.78 ALDH1A1 (0.59) ALDH1A1AKR1C3AKR1C2AKR1C1GFER

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-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 3766/4885PTPN1 2732/4885AKR1C3 831/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885PTPN1 2375/4885AKR1C3 738/4885

“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.