SCHEMBL6404892

SCHEMBL6404892

O=C(NCc1cc(CCl)no1)c1cc(F)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
JAK2 O60674 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.34
WDR5 P61964 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6403980 0.85 SMN1; SMN2 (0.55) SMN1; SMN2POLBMAPTHPGDALDH1A1
SCHEMBL6403795 0.84 SMN1; SMN2 (0.39) EPHX2SMN1; SMN2POLBMAPTHPGD
SCHEMBL6401603 0.80 ALDH1A1 (0.40) EPHX2SMN1; SMN2POLBHPGDALDH1A1
SCHEMBL6406614 0.79 NAMPT (0.48) EPHX2SMN1; SMN2POLBL3MBTL1THRB
SCHEMBL6402261 0.78 HPGD (0.53) SMN1; SMN2POLBHPGDALDH1A1NPC1
SCHEMBL6404146 0.77 EPHX2 (0.43) EPHX2SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL6410595 0.77 HPGD (0.51) SMN1; SMN2MAPTHPGDALDH1A1HTT
SCHEMBL6410105 0.77 HPGD (0.54) SMN1; SMN2POLBMAPTHPGDALDH1A1
SCHEMBL6406674 0.76 HPGD (0.58) EPHX2SMN1; SMN2POLBMAPTHPGD
SCHEMBL6407737 0.76 HDAC6 (0.49) SMN1; SMN2POLBHPGDALDH1A1NPC1

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 EPHX2 2961/4885SMN1; SMN2 4458/4885POLB 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.