SCHEMBL5857002

SCHEMBL5857002

Cn1c(N)c(C#N)c2cc(OCc3cccc(C(=O)[C@@H](N)CO)c3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 5/20 0.74
NSD2 O96028 2/20 0.47
PFKFB2 O60825 2/20 0.47
PFKFB1 P16118 2/20 0.47
PFKFB3 Q16875 2/20 0.47
MRGPRX4 Q96LA9 7/20 0.43
PLA2G2A P14555 1/20 0.40
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
ACSL1 P33121 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37

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
SCHEMBL5857001 1.00 AS3MT (0.74) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5857177 0.89 AS3MT (0.62) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5857187 0.89 AS3MT (0.62) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5857851 0.85 AS3MT (0.71) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5857180 0.81 AS3MT (1.00) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5859811 0.80 AS3MT (0.63) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5859806 0.80 AS3MT (0.63) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5857918 0.79 AS3MT (1.00) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5857077 0.78 AS3MT (0.61) AS3MTNSD2PFKFB2PFKFB1PFKFB3
SCHEMBL5857242 0.77 AS3MT (0.73) AS3MTNSD2PFKFB2PFKFB1PFKFB3

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 5 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
CN-1431999-A Indole derivatives with vascular damagine activity ASTRAZENECA AB (SE) 2003-07-23 CN 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 2271/4885NSD2 969/4885PFKFB2 3883/4885

“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.