SCHEMBL6402683

SCHEMBL6402683

O=C(NCc1cc(-c2ccccc2)no1)Nc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.48
NOTUM Q6P988 2/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
PIM1 P11309 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
FLT3 P36888 1/20 0.47
PIM3 Q86V86 1/20 0.47
AURKB Q96GD4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
JAK2 O60674 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRNB2 P17787 1/20 0.45

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
SCHEMBL6408055 0.82 HTT (0.54) NOTUMPOLBSMN1; SMN2HTTL3MBTL1
SCHEMBL6404369 0.81 SMN1; SMN2 (0.56) NOTUMPOLBSMN1; SMN2HTTNPC1
SCHEMBL6401623 0.79 NOTUM (0.61) NOTUMPOLBSMN1; SMN2HTTNPC1
SCHEMBL6403360 0.79 SIRT2 (0.55) NOTUMSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6410100 0.79 HTT (0.57) NOTUMPOLBSMN1; SMN2HTTNPC1
SCHEMBL6408040 0.79 POLB (0.62) NOTUMPOLBSMN1; SMN2HTTNPC1
SCHEMBL6405148 0.77 NAMPT (0.53) NOTUMPOLBSMN1; SMN2HTTNPC1
SCHEMBL6405193 0.77 MAPT (0.62) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL23451628 0.77 POLB (0.75) NOTUMPOLBSMN1; SMN2HTTNPC1
SCHEMBL31686338 0.77 NOTUM (0.58) NOTUMPOLBSMN1; SMN2HTTNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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 (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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 NTRK1 823/4885NOTUM 755/4885POLB 3713/4885

“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.