SCHEMBL5857918

SCHEMBL5857918

Cn1c(N)c(C#N)c2cc(OCc3ccccc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 5/20 1.00
NSD2 O96028 2/20 0.57
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
MAOB P27338 4/20 0.52
PFKFB2 O60825 2/20 0.51
PFKFB1 P16118 2/20 0.51
PFKFB3 Q16875 2/20 0.51
MAOA P21397 1/20 0.47
SRD5A2 P31213 1/20 0.46
IMPDH2 P12268 1/20 0.44
PIM1 P11309 1/20 0.43

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
SCHEMBL5858348 0.93 AS3MT (0.87) AS3MTNSD2MEN1NPC1RAB9A
SCHEMBL5857180 0.90 AS3MT (1.00) AS3MTNSD2MEN1NPC1RAB9A
SCHEMBL10096171 0.84 AS3MT (0.72) AS3MTNSD2MEN1NPC1RAB9A
SCHEMBL5857242 0.83 AS3MT (0.73) AS3MTNSD2MEN1KMT2AMAOB
SCHEMBL5857851 0.82 AS3MT (0.71) AS3MTNSD2MEN1NPC1RAB9A
SCHEMBL5857169 0.80 AS3MT (0.66) AS3MTNSD2MEN1KMT2AMAOB
SCHEMBL5857001 0.79 AS3MT (0.74) AS3MTNSD2MEN1NPC1RAB9A
SCHEMBL5857002 0.79 AS3MT (0.74) AS3MTNSD2MEN1NPC1RAB9A
SCHEMBL5857151 0.76 AS3MT (0.65) AS3MTNSD2MEN1KMT2APFKFB2
SCHEMBL5857177 0.76 AS3MT (0.62) AS3MTNSD2MEN1NPC1RAB9A

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 969/4885MEN1 3191/4885

“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.