SCHEMBL23845941

SCHEMBL23845941

O=C1CC(n2sc3cc(F)ccc3c2=O)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPI P34949 6/20 0.47
PHOSPHO1 Q8TCT1 5/20 0.47
G6PD P11413 2/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PMM2 O15305 3/20 0.42
IDO1 P14902 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
MIF P14174 3/20 0.42
KAT2B Q92831 1/20 0.42

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
SCHEMBL21687118 0.87 CRBN (0.52) MPIPHOSPHO1G6PDALDH1A1TDP1
SCHEMBL21687130 0.82 CASP3 (0.44) MPIPHOSPHO1G6PDKDM4EALDH1A1
SCHEMBL21687127 0.81 MPI (0.60) MPIPHOSPHO1G6PDPMM2IDO1
SCHEMBL21687116 0.77 CRBN (0.52) MPIPHOSPHO1G6PDALDH1A1APOBEC3G
SCHEMBL21687134 0.74 MIF (0.42) LMNAMAPTIDO1DDB1CRBN
SCHEMBL21687125 0.73 MPI (0.48) MPIPHOSPHO1G6PDKDM4EALDH1A1
SCHEMBL21687119 0.72 CRBN (0.48) ALDH1A1TDP1DDB1CRBN
SCHEMBL21687108 0.70 CRBN (0.56) ALDH1A1TDP1DDB1CRBN
SCHEMBL21687132 0.68 DDB1 (0.41) ALDH1A1LMNATDP1IDO1DDB1
SCHEMBL25026488 0.67 CRBN (0.80) ALDH1A1TDP1DDB1CRBN

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-20210292315-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI XINGYE PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2021-09-23 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-20210292315-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AIFM2, GPX1, AIFM1 MPI 3496/4885PHOSPHO1 3147/4885G6PD 2053/4885

“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.