SCHEMBL21687124

SCHEMBL21687124

COc1ccc2nc(-n3sc4ccccc4c3=O)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2A Q92830 2/20 0.68
KAT2B Q92831 2/20 0.68
G6PD P11413 2/20 0.59
PMM2 O15305 3/20 0.58
MPI P34949 3/20 0.58
SLC11A2 P49281 2/20 0.54
MAPT P10636 3/20 0.53
TSHR P16473 1/20 0.53
PKM P14618 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EP300 Q09472 1/20 0.49
AKR1B1 P15121 1/20 0.48
MIF P14174 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL21687126 0.85 KAT2A (0.64) KAT2AKAT2BG6PDPMM2MPI
SCHEMBL21687129 0.85 MPI (0.63) KAT2AKAT2BG6PDPMM2MPI
SCHEMBL21687131 0.82 KAT2B (1.00) KAT2AKAT2BG6PDPMM2MPI
SCHEMBL5916793 0.78 METAP2 (0.57) SLC11A2MAPTTSHRPKMTDP1
SCHEMBL21687128 0.76 CSNK1D (0.47) KAT2AKAT2BSLC11A2MAPTTSHR
SCHEMBL4917268 0.75 CYP1A2 (0.61) SLC11A2MAPTTSHRPKMTDP1
SCHEMBL1897990 0.75 G6PD (1.00) KAT2AKAT2BG6PDPMM2MPI
SCHEMBL2538424 0.74 MPI (1.00) KAT2BG6PDPMM2MPIMAPT
SCHEMBL8373420 0.74 G6PD (0.80) G6PDPMM2MPIMAPTPKM
SCHEMBL18845144 0.74 G6PD (0.66) G6PDPMM2MPIMAPTPKM

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 2 patents. 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
WO-2020020099-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海星叶医药科技有限公司 2020-01-30 WO 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 KAT2A 4401/4885KAT2B 4231/4885G6PD 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.