SCHEMBL334709

SCHEMBL334709

CC(C)(C)OC(=O)Nc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.68
NAMPT P43490 1/20 0.57
MDM2 Q00987 1/20 0.53
BCHE P06276 1/20 0.51
PSMB8 P28062 1/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
BCL2 P10415 1/20 0.46
BECN1 Q14457 1/20 0.46
EPHX1 P07099 1/20 0.46
MAP4K4 O95819 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
Acetonitrile SCHEMBL28262258 0.92 CYP17A1 (0.60) CYP17A1NAMPTMDM2BCHEPSMB8
SCHEMBL4759920 0.90 CYP17A1 (0.79) CYP17A1NAMPTPSMB8BCL2BECN1
SCHEMBL21140934 0.89 NAMPT (0.74) CYP17A1NAMPTPOLBKDM4EL3MBTL1
SCHEMBL23637726 0.87 CYP17A1 (0.63) CYP17A1NAMPTPSMB8
SCHEMBL6815524 0.87 NAMPT (0.71) CYP17A1NAMPTKDM4EL3MBTL1
SCHEMBL13055402 0.86 CYP17A1 (0.59) CYP17A1NAMPTPSMB8L3MBTL1MAP4K4
SCHEMBL31029060 0.86 CYP17A1 (0.61) CYP17A1NAMPTBCHEPSMB8POLB
SCHEMBL29260233 0.86 CYP17A1 (0.92) CYP17A1NAMPTPOLB
SCHEMBL11674360 0.83 CYP17A1 (0.55) CYP17A1NAMPTMDM2BCHEPOLB
SCHEMBL30125128 0.82 CYP17A1 (1.00) CYP17A1NAMPTPSMB8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496624-A Resin composition and use thereof 华为技术有限公司 2024-08-16 CN claimed
US-20230058178-A1 METHODS AND MATERIALS FOR TREATING NERVE INJURY AND/OR PROMOTING WOUND HEALING UNITED STATES GOVERNMENT 2023-02-23 US claimed
WO-2021150773-A1 METHODS AND MATERIALS FOR TREATING NERVE INJURY AND/OR PROMOTING WOUND HEALING THE PENN STATE RESEARCH FOUNDATION (US) 2021-07-29 WO claimed
EP-2850044-B1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING UNIV CHICAGO (US) 2017-05-17 EP claimed
EP-2850044-A2 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING The University of Chicago (US) 2015-03-25 EP claimed
US-20140004044-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO (US) 2014-01-02 US claimed
WO-2013173746-A2 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO (US) 2013-11-21 WO claimed
CN-101723911-B Method for synthesizing N-aryl-1,3-oxazolin-2-one compounds UNIV XUZHOU NORMAL 2012-07-04 CN claimed
CN-101723911-A Method for synthesizing N-aryl-1,3-oxazolin-2-one compounds UNIV XUZHOU NORMAL 2010-06-09 CN claimed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US claimed
CN-1745064-A Pyridines for the treatment of damaged mammalian neural tissue PURDUE RESEARCH FOUNDATION (US) 2006-03-08 CN claimed
US-20040171587-A1 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION 2004-09-02 US claimed
US-20250270200-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2025-08-28 US disclosed
US-12281116-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2025-04-22 US disclosed
WO-2025057074-A1 N-ARYL BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2025-03-20 WO disclosed
EP-4511035-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2025-02-26 EP disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed
US-4690921-A BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-09-01 US disclosed
EP-0142274-A2 Cephalosporin compounds and salts thereof, their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1985-05-22 EP 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 (5 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-12281116-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 CYP17A1 4412/4885NAMPT 1345/4885MDM2 1726/4885
US-20040171587-A1 Pyridines for treating injured mammalian nerve tissue P2RY4, INA, P2RY1 CYP17A1 4825/4885NAMPT 610/4885MDM2 3959/4885
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE P2RY4, INA, PMP22 CYP17A1 4823/4885NAMPT 616/4885MDM2 3943/4885
US-20250270200-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CYP17A1 920/4885NAMPT 171/4885MDM2 2718/4885
US-20140004044-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING KCNJ4, KCNQ4, KCND2 CYP17A1 4885/4885NAMPT 3665/4885MDM2 3954/4885

“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.