SCHEMBL397003

SCHEMBL397003

Cc1ccccc1NC(=O)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.67
PDK2 Q15119 1/20 0.67
PDK3 Q15120 1/20 0.67
PDK4 Q16654 1/20 0.67
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CETP P11597 1/20 0.62
HPGD P15428 5/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 2/20 0.56
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 2/20 0.51
EPHX1 P07099 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DDX3X O00571 1/20 0.51
KDM4C Q9H3R0 1/20 0.51

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
SCHEMBL5706504 0.87 CETP (0.71) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL6349201 0.86 PDK1 (0.70) PDK1PDK2PDK3PDK4NPC1
SCHEMBL26623837 0.85 PDK1 (0.73) PDK1PDK2PDK3PDK4NPC1
SCHEMBL8347800 0.85 PDK1 (0.63) PDK1PDK2PDK3PDK4NPC1
SCHEMBL21861381 0.84 POLB (0.55) PDK1PDK2PDK3PDK4NPC1
SCHEMBL2087952 0.83 CETP (0.67) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL28577700 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4NPC1
SCHEMBL11245698 0.83 PDK1 (0.61) PDK1PDK2PDK3PDK4NPC1
SCHEMBL11173223 0.83 PDK1 (0.61) PDK1PDK2PDK3PDK4NPC1
SCHEMBL914296 0.82 PDK1 (0.70) PDK1PDK2PDK3PDK4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024399-B Pharmaceutical intermediate compound and preparation method and application thereof 华东理工大学 2022-09-09 CN claimed
US-5489681-A Method for the preparation of 4-phenyl-1,3-benzodiazepins HOESCHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-02-06 US claimed
US-5349086-A Method for the preparation of 4-phenyl-1,3-benzodiazepins and precursors thereof HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-09-20 US claimed
US-4461728-A Preparation of 4-phenyl-1,3-benzodiazepins HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1984-07-24 US claimed
EP-4591314-A2 SELECTION OF CHEMICAL SYNTHESIS PROCESSES The Regents of The University of Michigan (US) 2025-07-30 EP disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
WO-2024064884-A2 SELECTION OF CHEMICAL SYNTHESIS PROCESSES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-03-28 WO disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
CN-117567350-A Preparation method of indolone compound 暨南大学 2024-02-20 CN disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-4709093-A Method for the preparation of 4-phenyl-1,3-benzodiazepines and precursors thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-11-24 US disclosed
EP-0082523-B1 INTERMEDIATES FOR THE PREPARATION OF 4-PHENYL-1,3-BENZODIAZEPINS AND METHODS FOR PREPARING THE INTERMEDIATES HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-04-02 EP disclosed
EP-0066773-B1 N-(2-(2-AMINO-2-PHENYLETHYL)PHENYL)-2,2-DIMETHYL-PROPANAMID AND DERIVATIVES AND A PROCESS FOR PREPARING THE SAME HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-09-05 EP disclosed
US-4461728-A Preparation of 4-phenyl-1,3-benzodiazepins HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1984-07-24 US disclosed
EP-0082523-A2 Intermediates for the preparation of 4-phenyl-1,3-benzodiazepins and methods for preparing the intermediates HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-29 EP disclosed
US-4374067-A Intermediates for the preparation of 4-phenyl-1,3-benzodiazepins and methods for preparing the intermediates HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1983-02-15 US disclosed
EP-0066773-A1 N-(2-(2-amino-2-phenylethyl)phenyl)-2,2-dimethyl-propanamid and derivatives and a process for preparing the same HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-12-15 EP disclosed
US-3987059-A ALKYL LITHIUM, CYCLIZATION, DEMETALLIZATION SANDOZ, INC. (US) 1976-10-19 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 (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-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PDK1 2295/4885PDK2 3693/4885PDK3 3477/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PDK1 2295/4885PDK2 3693/4885PDK3 3477/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR PDK1 2357/4885PDK2 1573/4885PDK3 1596/4885

“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.