SCHEMBL5857242

SCHEMBL5857242

Cn1c(N)c(C#N)c2cc(OCc3cccc([N+](=O)[O-])c3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 4/20 0.73
MAOB P27338 4/20 0.50
MAOA P21397 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PFKFB2 O60825 1/20 0.46
NSD2 O96028 1/20 0.46
PFKFB1 P16118 1/20 0.46
PFKFB3 Q16875 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL5857180 0.84 AS3MT (1.00) AS3MTMAOBMAOACYP2D6PFKFB2
SCHEMBL5857918 0.83 AS3MT (1.00) AS3MTMAOBMAOAPFKFB2NSD2
SCHEMBL5857851 0.80 AS3MT (0.71) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL5858348 0.77 AS3MT (0.87) AS3MTMAOBMAOAPFKFB2NSD2
SCHEMBL5857001 0.77 AS3MT (0.74) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL5857002 0.77 AS3MT (0.74) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL5857177 0.73 AS3MT (0.62) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL5857187 0.73 AS3MT (0.62) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL6088123 0.73 MAOB (0.54) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL5857077 0.73 AS3MT (0.61) AS3MTMAOBPFKFB2NSD2PFKFB1

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 2271/4885MAOB 244/4885MAOA 381/4885

“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.