SCHEMBL21179064

SCHEMBL21179064

CC(C)(C)OC(=O)N[C@@H]1COc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.40
SIRT2 Q8IXJ6 3/20 0.39
SIRT1 Q96EB6 2/20 0.39
AAK1 Q2M2I8 3/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
FFAR1 O14842 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
BACE1 P56817 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21178544 1.00 GAA (0.44) GAAEPHX2SIRT2SIRT1AAK1
SCHEMBL31704461 1.00 GAA (0.44) GAAEPHX2SIRT2SIRT1AAK1
SCHEMBL31136237 0.90 GAA (0.44) GAAEPHX2SIRT2SIRT1AAK1
SCHEMBL16814170 0.88 AAK1 (0.41) GAASIRT2SIRT1AAK1
SCHEMBL30016207 0.87 KMT2A (0.40) FFAR1PPARGPPARDKMT2AL3MBTL1
SCHEMBL30015645 0.87 KMT2A (0.40) FFAR1PPARGPPARDKMT2AL3MBTL1
SCHEMBL29134330 0.87 KMT2A (0.40) FFAR1PPARGPPARDKMT2AL3MBTL1
SCHEMBL21284828 0.86 GAA (0.45) GAAEPHX2SIRT2SIRT1KDM1A
SCHEMBL12501574 0.86 BDKRB1 (0.43) SIRT2SIRT1BACE1
SCHEMBL27167804 0.86 AAK1 (0.40) GAASIRT2SIRT1AAK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353817-A1 INTERLUKIN-17A INHIBITORS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-11-20 US disclosed
US-20250059173-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2025-02-20 US disclosed
EP-4491622-A2 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2025-01-15 EP disclosed
EP-3740481-B9 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2024-10-23 EP disclosed
US-12065436-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2024-08-20 US disclosed
EP-3740481-B1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2024-06-26 EP disclosed
CN-117964573-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-05-03 CN disclosed
CN-117924208-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-04-26 CN disclosed
US-20240124442-A1 TRICYCLIC-AMIDO-BICYCLIC PRMT5 INHIBITORS AMGEN INC. (US) 2024-04-18 US disclosed
EP-4288435-A1 TRICYCLIC-AMIDO-BICYCLIC PRMT5 INHIBITORS Amgen Inc. (US) 2023-12-13 EP disclosed
US-20230119665-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2023-04-20 US disclosed
US-11472796-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2022-10-18 US disclosed
WO-2022169948-A1 TRICYCLIC-AMIDO-BICYCLIC PRMT5 INHIBITORS AMGEN INC. (US) 2022-08-11 WO disclosed
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-05-20 US disclosed
EP-3740481-A1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2020-11-25 EP disclosed
US-10836755-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2020-11-17 US disclosed
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2019-08-22 US disclosed
WO-2019144041-A1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2019-07-25 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 (9 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-20230119665-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 GAA 2301/4885EPHX2 4457/4885SIRT2 2254/4885
US-20250353817-A1 INTERLUKIN-17A INHIBITORS AND USES THEREOF IL17A, IL15, IL23R GAA 913/4885EPHX2 1600/4885SIRT2 1583/4885
US-10836755-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 GAA 2301/4885EPHX2 4457/4885SIRT2 2254/4885
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 GAA 2301/4885EPHX2 4457/4885SIRT2 2254/4885
US-12065436-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 GAA 2301/4885EPHX2 4457/4885SIRT2 2254/4885
US-11472796-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 GAA 2301/4885EPHX2 4457/4885SIRT2 2254/4885
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 GAA 2301/4885EPHX2 4457/4885SIRT2 2254/4885
US-20240124442-A1 TRICYCLIC-AMIDO-BICYCLIC PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 GAA 3993/4885EPHX2 4180/4885SIRT2 448/4885
US-20250059173-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 GAA 2301/4885EPHX2 4457/4885SIRT2 2254/4885

“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.