SCHEMBL5505530

SCHEMBL5505530

N#CC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 5/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
ALPG P10696 1/20 0.44
TRPA1 O75762 1/20 0.42
PTPN1 P18031 1/20 0.41
MDM2 Q00987 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL7202862 0.96 L3MBTL1 (0.55) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7200938 0.91 TDP1 (0.50) L3MBTL1TDP1LMNACES2CES1
SCHEMBL8992867 0.91 L3MBTL1 (0.50) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7198527 0.88 TDP1 (0.47) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7199609 0.88 LMNA (0.60) L3MBTL1TDP1LMNACES2CES1
SCHEMBL14519387 0.88 L3MBTL1 (0.49) L3MBTL1TDP1LMNACES2CES1
SCHEMBL838079 0.88 L3MBTL1 (0.52) L3MBTL1TDP1LMNACES2CES1
SCHEMBL19926126 0.88 CES2 (0.47) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7198885 0.88 CES2 (0.47) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7196088 0.84 TSHR (0.47) L3MBTL1TDP1LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974721-B Method for synthesizing 2-carbonyl substituted nitrile compound through 2, 2-trifluoroethyl ketone 平顶山学院 2024-07-02 CN claimed
CN-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed
CN-115974721-B Method for synthesizing 2-carbonyl substituted nitrile compound through 2, 2-trifluoroethyl ketone 平顶山学院 2024-07-02 CN disclosed
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US disclosed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US disclosed
CN-113999232-A MAT2A inhibitors 南京正大天晴制药有限公司 2022-02-01 CN disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US disclosed
US-6908948-B1 DNA-cleaving antitumor agents RESEARCH DEVELOPMENT FOUNDATION (US) 2005-06-21 US disclosed
US-6686345-B2 INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2004-02-03 US disclosed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed
US-20020132797-A1 DNA-cleaving antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US disclosed
US-6297284-B1 AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2001-10-02 US disclosed
WO-2001070217-A1 DNA-CLEAVING ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION (US) 2001-09-27 WO disclosed
EP-1109552-A1 NOVEL DNA-CLEAVING ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION (US) 2001-06-27 EP disclosed
WO-2000003709-A9 NOVEL DNA-CLEAVING ANTITUMOR AGENTS UNIV TEXAS (US) 2000-07-20 WO disclosed
WO-2000003709-A1 NOVEL DNA-CLEAVING ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION (US) 2000-01-27 WO disclosed
CN-1207390-A Five-membered aromatic heterocyclic compounds contg. beta-position trifluoromethyl group and synthesis thereof SHANGHAI INST ORGANIC CHEM (CN) 1999-02-10 CN 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-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 L3MBTL1 2793/4885TDP1 1033/4885LMNA 2806/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 L3MBTL1 2793/4885TDP1 1033/4885LMNA 2806/4885
US-20020132797-A1 DNA-cleaving antitumor agents DNASE1, DNASE1L3, DCLRE1B L3MBTL1 2894/4885TDP1 119/4885LMNA 339/4885

“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.