SCHEMBL3582681

SCHEMBL3582681

CC(C)(C)[Si](OCC1CCNCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
GBA1 P04062 1/20 0.42
KDM1A O60341 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR4 Q13639 1/20 0.41
EP300 Q09472 2/20 0.40
KHK P50053 1/20 0.37
TRIM58 Q8NG06 1/20 0.37
HTR2C P28335 1/20 0.37
SMYD2 Q9NRG4 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 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
SCHEMBL17042073 0.92 SLC6A2 (0.44) TDP1GBA1KDM1ASLC6A2SLC6A4
SCHEMBL24670671 0.92 SLC6A2 (0.44) TDP1GBA1KDM1ASLC6A2SLC6A4
SCHEMBL2914349 0.89 RIPK1 (0.41) HTR2CSMYD2
SCHEMBL28917486 0.87 SMYD2 (0.43) TDP1GBA1KDM1ASLC6A4SMYD2
SCHEMBL10380887 0.86 SMYD2 (0.39) HTR2CSMYD2
SCHEMBL23833335 0.85 SMYD2 (0.37) HTR2CSMYD2CHRM2CHRM1CHRM3
SCHEMBL23517183 0.85 SMYD2 (0.37) HTR2CSMYD2CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL22396515 0.85 SMYD2 (0.38) KDM1ASLC6A2SLC6A4SMYD2
SCHEMBL839098 0.85 SMYD2 (0.38) KDM1ASLC6A2SLC6A4SMYD2
Trifluoroacetic Acid SCHEMBL29211499 0.84 CHRNB2 (0.43) SLC6A2SLC6A4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119923391-A Targeted protein degradation of PARP14 for use in therapy 艾伯维新加坡运营私人有限公司 2025-05-02 CN disclosed
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-117794936-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-03-29 CN disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed
WO-2022098544-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-05-12 WO disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-23 US disclosed
US-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-16 US disclosed
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2019-11-21 US disclosed
EP-2099788-B1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2013-03-06 EP disclosed
US-8304412-B2 Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
EP-2099788-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2008064788-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-05 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 (7 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-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 TDP1 4841/4885GBA1 4842/4885KDM1A 1020/4885
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF QDPR, TPMT, PTGIS TDP1 351/4885GBA1 3833/4885KDM1A 3451/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 TDP1 3000/4885GBA1 4798/4885KDM1A 1318/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 TDP1 880/4885GBA1 3472/4885KDM1A 1866/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 TDP1 4885/4885GBA1 4852/4885KDM1A 605/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX TDP1 1894/4885GBA1 4764/4885KDM1A 466/4885
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 TDP1 3000/4885GBA1 4798/4885KDM1A 1318/4885

“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.