SCHEMBL29518706

SCHEMBL29518706

CC1(C)C(=O)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 1.00
PDK4 Q16654 2/20 1.00
LMNA P02545 1/20 0.53
AKR1B1 P15121 1/20 0.52
PGR P06401 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
PDK1 Q15118 1/20 0.47
PDK3 Q15120 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BACE1 P56817 1/20 0.46

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
SCHEMBL319934 1.00 PDK2 (1.00) PDK2PDK4LMNAAKR1B1PGR
SCHEMBL7134735 0.84 PDK2 (0.71) PDK2PDK4LMNAPGRKMT2A
SCHEMBL9591821 0.83 PDK2 (0.71) PDK2PDK4LMNAPGRKMT2A
SCHEMBL31911 0.80 PDK2 (0.67) PDK2PDK4LMNAAKR1B1KMT2A
SCHEMBL29371027 0.80 PDK2 (0.67) PDK2PDK4LMNAAKR1B1KMT2A
SCHEMBL10690527 0.80 PDK2 (0.67) PDK2PDK4LMNAAKR1B1KMT2A
SCHEMBL2264508 0.78 PDK2 (0.64) PDK2PDK4LMNAAKR1B1KMT2A
SCHEMBL2313519 0.78 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2264504 0.78 PDK2 (0.64) PDK2PDK4LMNAAKR1B1KMT2A
SCHEMBL2266448 0.78 PDK2 (0.64) PDK2PDK4LMNAAKR1B1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118223047-A Method for synthesizing N-Mannich alkali compound by taking methanol as carbon source under electric assistance 天津科技大学 2024-06-21 CN claimed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 CN claimed
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 CN claimed
EP-4720068-A1 COMPOUNDS FOR THE DEGRADATION OF EGFR KINASE Beone Medicines I GmbH (CH) 2026-04-08 EP disclosed
US-20250340546-A1 HSD17B13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-11-06 US disclosed
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 CN disclosed
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed
WO-2024245430-A1 COMPOUNDS FOR THE DEGRADATION OF EGFR KINASE BEIGENE, LTD. (GB) 2024-12-05 WO disclosed
US-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2024-11-07 US disclosed
CN-118561823-A 2-Alkyl-3, 3-diaryl indoline series compounds, and preparation method and application thereof 江西师范大学 2024-08-30 CN disclosed
CN-118272274-B Lactic acid bacteria starter and application thereof in preparation of blueberry corn peptide fermentation liquor 齐齐哈尔大学 2024-08-09 CN disclosed
CN-117105933-A Substituted 6-azabenzimidazole compounds having HPK1 inhibitory activity 吉利德科学公司 2023-11-24 CN disclosed
CN-112969505-B Substituted 6-azabenzimidazole compounds having HPK1 inhibitory activity 吉利德科学公司 2023-11-14 CN disclosed
EP-4225735-A1 PREPARATION OF OXINDOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2023-08-16 EP disclosed
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-10 US disclosed
CN-112209866-B Method for preparing 1-tertiary butyl-3, 3-dimethyl indoline compound 同济大学 2023-06-16 CN disclosed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 CN disclosed
WO-2023076167-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2023-05-04 WO disclosed
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 CN disclosed
WO-2022076496-A1 PREPARATION OF OXINDOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-04-14 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 (3 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-20250340546-A1 HSD17B13 INHIBITORS HSD17B3, HSD17B13, HSD17B1 PDK2 512/4885PDK4 316/4885LMNA 3138/4885
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 PDK2 4006/4885PDK4 4051/4885LMNA 4230/4885
US-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NLRP3, NLRP1, NOD1 PDK2 2596/4885PDK4 1684/4885LMNA 1687/4885

“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.