SCHEMBL5886336

SCHEMBL5886336

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
F9 P00740 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCB1 P08183 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.35
PDE10A Q9Y233 2/20 0.35
S1PR4 O95977 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
SCHEMBL5886310 0.89 TSHR (0.35) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL5886294 0.85 CASP3 (0.52) KDM4ECASP3CASP7CASP9F9
SCHEMBL5886333 0.84 RAD52 (0.37) KDM4ETSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL5886332 0.81 RAD52 (0.58) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5886548 0.80 RAD52 (0.39) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5886279 0.80 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5886245 0.79 KDM4E (0.41) KDM4ETSHRALDH1A1HPGDKMT2A
SCHEMBL5886514 0.74 KDM4E (0.50) KDM4ETSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL5886291 0.73 ALDH1A1 (0.48) KDM4ETSHRALDH1A1HPGDCASP1
SCHEMBL5886500 0.71 KDM4E (0.52) KDM4EALDH1A1HPGDCASP1HSD17B10

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-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 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 KDM4E 3704/4885CASP3 4062/4885CASP7 3493/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B KDM4E 1785/4885CASP3 3965/4885CASP7 2690/4885

“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.