SCHEMBL21839908

SCHEMBL21839908

COC(=O)c1cc(Br)cc2ncoc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
OPRK1 P41145 10/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR4A2 P43354 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NOTUM Q6P988 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28940310 0.76 CTNNB1 (0.38) L3MBTL1HTTTSHROPRK1SMN1; SMN2
SCHEMBL20844681 0.76 KDM4E (0.40) L3MBTL1HTTTSHRHSD17B10ALDH1A1
SCHEMBL25780533 0.75 SLC6A3 (0.41) L3MBTL1HTTTSHRSMN1; SMN2HSD17B10
SCHEMBL29685513 0.75 MTNR1A (0.47) TSHRHSD17B10ALDH1A1GAAKMT2A
SCHEMBL3573582 0.75 MTNR1A (0.47) TSHRHSD17B10ALDH1A1GAAKMT2A
SCHEMBL21839917 0.75 ESR2 (0.47) L3MBTL1HTTSMN1; SMN2ESR2HSD17B10
SCHEMBL25780555 0.72 SLC6A3 (0.44) L3MBTL1HTTTSHRSMN1; SMN2HSD17B10
SCHEMBL4165351 0.72 NR4A2 (0.46) L3MBTL1HTTTSHRSMN1; SMN2ESR2
SCHEMBL17092769 0.72 PSMD14 (0.41) L3MBTL1HTTTSHROPRK1HSD17B10
SCHEMBL21840008 0.71 ESR2 (0.44) L3MBTL1ESR2HSD17B10MAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2021-06-24 US disclosed
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-27 US disclosed
US-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2020-04-16 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 (5 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-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 L3MBTL1 4877/4885HTT 4636/4885TSHR 479/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 L3MBTL1 4462/4885HTT 4761/4885TSHR 478/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 L3MBTL1 4877/4885HTT 4636/4885TSHR 479/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 L3MBTL1 4316/4885HTT 4758/4885TSHR 545/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 L3MBTL1 4462/4885HTT 4761/4885TSHR 478/4885

“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.