SCHEMBL6401591

SCHEMBL6401591

CC(=O)OCc1cc(CNC(=O)NC2CCCCC2)on1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 4/20 0.46
EPHX1 P07099 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 2/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6404204 0.88 RAB9A (0.50) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6402627 0.83 EPHX1 (0.51) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6404969 0.82 EPHX1 (0.50) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6407673 0.82 EPHX1 (0.50) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6406584 0.82 EPHX1 (0.50) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6405207 0.81 SMN1; SMN2 (0.47) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6407407 0.81 EPHX1 (0.53) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6407578 0.81 EPHX1 (0.48) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6409949 0.81 EPHX2 (0.57) MEN1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL6403210 0.80 EPHX1 (0.51) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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 MEN1 3154/4885POLB 3713/4885KMT2A 986/4885

“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.