SCHEMBL5857839

SCHEMBL5857839

COc1cc(Oc2ccc3c(c2)c(C#N)c(N)n3C)cc(OC)c1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 9/20 0.60
PFKFB2 O60825 5/20 0.47
PFKFB1 P16118 5/20 0.47
PFKFB3 Q16875 5/20 0.47
NSD2 O96028 4/20 0.47
DOT1L Q8TEK3 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.34
ACSL1 P33121 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5857166 0.82 AS3MT (0.54) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5857816 0.81 AS3MT (0.55) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5858348 0.78 AS3MT (0.87) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5857105 0.77 AS3MT (0.58) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5857918 0.76 AS3MT (1.00) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5857217 0.72 AS3MT (0.62) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5857151 0.70 AS3MT (0.65) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5858514 0.69 AS3MT (0.63) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5857180 0.67 AS3MT (1.00) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL5857242 0.66 AS3MT (0.73) AS3MTPFKFB2PFKFB1PFKFB3NSD2

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-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 WO 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-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA AS3MT 2271/4885PFKFB2 3883/4885PFKFB1 3485/4885

“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.