SCHEMBL6403795

SCHEMBL6403795

O=C(NCc1cc(CCl)no1)c1ccc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
JAK2 O60674 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
LMNA P02545 2/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL6401603 0.86 ALDH1A1 (0.40) SMN1; SMN2HTTALDH1A1JAK2L3MBTL1
SCHEMBL6403980 0.84 SMN1; SMN2 (0.55) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL6404892 0.84 EPHX2 (0.37) SMN1; SMN2HTTALDH1A1JAK2L3MBTL1
SCHEMBL6410105 0.81 HPGD (0.54) SMN1; SMN2HTTALDH1A1JAK2L3MBTL1
SCHEMBL6406614 0.79 NAMPT (0.48) SMN1; SMN2L3MBTL1MEN1KMT2APOLB
SCHEMBL6402261 0.78 HPGD (0.53) SMN1; SMN2ALDH1A1POLBHPGDNPC1
SCHEMBL6404074 0.77 SMN1; SMN2 (0.51) SMN1; SMN2HTTALDH1A1JAK2L3MBTL1
SCHEMBL6410595 0.77 HPGD (0.51) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL6406674 0.76 HPGD (0.58) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL6407737 0.76 HDAC6 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2APOLB

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 SMN1; SMN2 4458/4885HTT 483/4885ALDH1A1 1486/4885

“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.