SCHEMBL4934652

SCHEMBL4934652

COC(=O)c1cc(Br)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C19 P33261 1/20 0.45
ESRRB O95718 1/20 0.45
ESR1 P03372 1/20 0.45
ESRRA P11474 1/20 0.45
ESRRG P62508 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.44
NR1H2 P55055 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
NOTUM Q6P988 1/20 0.43
BACE1 P56817 1/20 0.42
ABCB1 P08183 2/20 0.42
PDK2 Q15119 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
SCHEMBL31490516 0.91 MAPT (0.52) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL16528279 0.88 SMN1; SMN2 (0.46) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL16528113 0.88 LMNA (0.49) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL24847031 0.87 MAPT (0.56) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL23456158 0.86 SMN1; SMN2 (0.53) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL19404282 0.86 KMT2A (0.51) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL19404303 0.85 MAPT (0.47) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL27097509 0.85 MEN1 (0.50) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL24847153 0.84 LMNA (0.48) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL23456293 0.83 STS (0.49) LMNAMAPTALDH1A1SMN1; SMN2MEN1

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 15 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
US-11542254-B2 Methods and composition of 4-substituted benzoylpiperazine-1-substituted carbonyls as beta-catenin/B-cell lymphoma 9 inhibitors UNIVERSISITY OF UTAH RESEARCH FOUNDATION (US) 2023-01-03 US disclosed
EP-3612520-B1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMA (KR) 2021-11-10 EP disclosed
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2021-06-24 US disclosed
US-20210171502-A1 METHODS AND COMPOSITION OF 4-SUBSTITUTED BENZOYLPIPERAZINE-1-SUBSTITUTED CARBONYLS AS BETA-CATENIN/B-CELL LYMPHOMA 9 INHIBITORS UNITED STATES GOVERNMENT 2021-06-10 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
EP-3612520-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF Il Dong Pharmaceutical Co., Ltd. (KR) 2020-02-26 EP disclosed
CN-110678450-A Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2020-01-10 CN disclosed
WO-2018190643-A1 AN ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USED THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2018-10-18 WO disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 (8 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-20210171502-A1 METHODS AND COMPOSITION OF 4-SUBSTITUTED BENZOYLPIPERAZINE-1-SUBSTITUTED CARBONYLS AS BETA-CATENIN/B-CELL LYMPHOMA 9 INHIBITORS BCL9, BCL9L, BCL3 LMNA 798/4885MAPT 2998/4885ALDH1A1 3463/4885
US-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 LMNA 4329/4885MAPT 3481/4885ALDH1A1 2667/4885
US-11542254-B2 Methods and composition of 4-substituted benzoylpiperazine-1-substituted carbonyls as beta-catenin/B-cell lymphoma 9 inhibitors BCL9, BCL9L, BCL3 LMNA 799/4885MAPT 3080/4885ALDH1A1 3240/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 LMNA 3292/4885MAPT 4496/4885ALDH1A1 840/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 LMNA 4329/4885MAPT 3481/4885ALDH1A1 2667/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 LMNA 3644/4885MAPT 3807/4885ALDH1A1 1135/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 LMNA 3292/4885MAPT 4496/4885ALDH1A1 840/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 LMNA 2304/4885MAPT 4051/4885ALDH1A1 4305/4885

“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.