SCHEMBL6403397

SCHEMBL6403397

O=C(O)N(Cc1cc(Cc2ccccc2)no1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.47
MTNR1A P48039 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
SLC6A9 P48067 2/20 0.44
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACKR3 P25106 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL2814615 0.80 AGER (0.67) AGERMTNR1AL3MBTL1RAB9AALDH1A1
SCHEMBL6409269 0.77 S1PR3 (0.48) L3MBTL1S1PR1S1PR3RAB9AALDH1A1
SCHEMBL6409920 0.75 ALDH1A1 (0.59) RAB9AALDH1A1SMN1; SMN2NPC1NPSR1
SCHEMBL6407336 0.73 EPHX1 (0.63) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3370759 0.72 AGER (0.55) AGERMTNR1AL3MBTL1OPRM1
SCHEMBL5436734 0.71 AGER (0.55) AGERMTNR1AL3MBTL1ALDH1A1MAPK1
SCHEMBL5431901 0.71 AGER (0.55) AGERMTNR1AL3MBTL1ALDH1A1MAPK1
SCHEMBL6409923 0.70 NPSR1 (0.47) L3MBTL1S1PR1S1PR3RAB9AALDH1A1
SCHEMBL6403405 0.70 ADRB2 (0.44) L3MBTL1RAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL23175993 0.68 AGER (0.63) AGERMTNR1AL3MBTL1RAB9AALDH1A1

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 AGER 3522/4885MTNR1A 1101/4885L3MBTL1 607/4885

“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.