SCHEMBL6401623

SCHEMBL6401623

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.61
POLB P06746 3/20 0.58
SMN1; SMN2 Q16637 7/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
JAK2 O60674 1/20 0.57
CYP1A2 P05177 2/20 0.56
LMNA P02545 5/20 0.54
MAPT P10636 3/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 1/20 0.51
ROCK2 O75116 1/20 0.49

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
SCHEMBL23451628 0.88 POLB (0.75) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL31686338 0.88 NOTUM (0.58) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL3606928 0.87 CYP2C9 (0.62) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL11495864 0.87 POLB (0.78) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL6409331 0.84 ALDH1A1 (0.57) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL31124145 0.84 NOTUM (0.54) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL6403149 0.84 NPC1 (0.57) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL6404121 0.82 POLB (0.53) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL6408141 0.82 POLB (0.56) NOTUMPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL11487647 0.82 POLB (0.53) NOTUMPOLBSMN1; SMN2ALDH1A1HTT

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 3 patents. 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
US-4203994-A Fungicidal 3-phenyl-5-(substituted methyl)isoxazoles ELI LILLY AND COMPANY (US) 1980-05-20 US disclosed
US-4109002-A FOR PLANT FOLIAGE ELI LILLY AND COMPANY (US) 1978-08-22 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 NOTUM 755/4885POLB 3713/4885SMN1; SMN2 4458/4885

“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.