SCHEMBL5886294

SCHEMBL5886294

CCOC(=O)COc1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
KDM4E B2RXH2 9/20 0.44
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 4/20 0.44
F9 P00740 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
TOP2A P11388 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MITF O75030 1/20 0.39

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
SCHEMBL5886514 0.89 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL5886291 0.87 ALDH1A1 (0.48) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL5886336 0.85 KDM4E (0.40) CASP3CASP7CASP9KDM4EABCB1
SCHEMBL5886500 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL5886332 0.83 RAD52 (0.58) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5886378 0.81 DHODH (0.49) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL5886262 0.81 ALDH1A1 (0.47) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL5886451 0.81 ALDH1A1 (0.49) KDM4EALDH1A1KMT2A
SCHEMBL5886271 0.81 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5886304 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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 CASP3 4062/4885CASP7 3493/4885CASP9 3005/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B CASP3 3965/4885CASP7 2690/4885CASP9 1620/4885

“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.