Pentobarbital

Pentobarbital

SCHEMBL2769858

CCCC(C)C1(CC)C(=O)N=C([O-])NC1=O.O=C(O)O.[Na+]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Pentobarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRB3 known ✓ P28472 1/20 0.51
GABRA2 known ✓ P47869 1/20 0.51
GABRB2 known ✓ P47870 1/20 0.51
CYP3A4 P08684 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
OPRD1 P41143 1/20 0.51
LMNA P02545 3/20 0.49
MMP9 P14780 1/20 0.40
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
NR1I2 O75469 1/20 0.36
RECQL P46063 1/20 0.36

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
Pentobarbital SCHEMBL477033 0.96 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL11435733 0.95 CYP3A4 (0.49) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL2689394 0.95 CYP3A4 (0.49) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL6489504 0.95 CYP3A4 (0.49) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL10727223 0.95 CYP3A4 (0.51) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL7768612 0.94 CYP3A4 (0.54) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL7033991 0.94 CYP3A4 (0.57) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL9221628 0.94 CYP3A4 (0.57) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL1247 0.94 CYP3A4 (0.57) CYP3A4KDM4EALDH1A1GABRB3OPRD1
Pentobarbital SCHEMBL23496511 0.94 CYP3A4 (0.48) CYP3A4KDM4EALDH1A1GABRB3OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112240239-A Compression ignition internal combustion engine using reactive agent 周氏(北京)汽车技术有限公司 2021-01-19 CN claimed
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
US-20250315159-A1 TOUCH DETECTION DEVICE WITH TOUCH INTERFACE MADE OF COMPOSITE MATERIAL SAS WOODOO (FR) 2025-10-09 US disclosed
WO-2025055580-A1 NEGATIVE ELECTRODE SHEET AND LITHIUM ION BATTERY COMPRISING SAME 珠海冠宇电池股份有限公司 2025-03-20 WO disclosed
EP-4478433-A1 NEGATIVE ELECTRODE SHEET, SECONDARY BATTERY AND ELECTRICAL DEVICE CALB Group Co., Ltd. (CN) 2024-12-18 EP disclosed
US-20240379939-A1 NEGATIVE ELECTRODE SHEET, SECONDARY BATTERY AND ELECTRICAL DEVICE CALB Group Co., Ltd. (CN) 2024-11-14 US disclosed
WO-2024226691-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF TERRAN BIOSCIENCES INC. (US) 2024-10-31 WO disclosed
US-20240301388-A1 DELIGNIFIED BAMBOO SCAFFOLDS INCLUDING IMMOBILIZED ENZYMES AND METHODS FOR FORMING AND USING SAME UNIVERSITY OF SOUTH CAROLINA 2024-09-12 US disclosed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
EP-3656520-B1 METHOD FOR PARTIAL DELIGNIFICATION AND FILLING OF A LIGNOCELLULOSIC MATERIAL, AND COMPOSITE MATERIAL STRUCTURE OBTAINED BY SAID METHOD SAS WOODOO (FR) 2023-11-01 EP disclosed
US-20180370071-A1 PROCESS FOR PARTIAL DELIGNIFICATION AND FILLING OF A LIGNOCELLULOSIC MATERIAL, AND COMPOSITE MATERIAL STRUCTURE ABLE TO BE OBTAINED BY THIS PROCESS SAS WOODOO (FR) 2018-12-27 US disclosed
US-20180191033-A1 ELECTROLYTE ADDITIVES FOR ELECTROCHEMICAL DEVICES NATRON ENERGY, INC. (US) 2018-07-05 US disclosed
EP-2248542-A2 Polycarbonate polyurethane venous access devices having enhanced strength Navilyst Medical, Inc. (US) 2010-11-10 EP disclosed
US-20100256546-A1 Polycarbonate Polyurethane Venous Access Devices Having Enhanced Strength NAVILYST MEDICAL, INC. 2010-10-07 US disclosed
EP-1667694-B1 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C ANADYS PHARMACEUTICALS INC (US) 2010-04-28 EP disclosed
US-20080070155-A1 INCLUSION COMPLEX, PHOTORESIST COMPOSITION HAVING THE INCLUSION COMPLEX AND METHOD OF FORMING A PATTERN USING THE PHOTORESIST COMPOSITION SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-20 US disclosed
US-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-23 US disclosed
EP-1620397-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004094376-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed
US-3992453-A Hydroformylation process UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-11-16 US 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 (2 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-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders MKI67, PCNA, CCNA1 GABRB3 3492/4885GABRA2 3621/4885GABRB2 3292/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 GABRB3 3342/4885GABRA2 4039/4885GABRB2 3442/4885

“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.