SCHEMBL8248148

SCHEMBL8248148

CC(C)(C)NC(=O)Cn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
QPCT Q16769 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
AHR P35869 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TBXAS1 P24557 5/20 0.46
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL11985632 0.81 ALDH1A1 (0.49) ALDH1A1EGLN3KDM4EAHRNPSR1
SCHEMBL7006174 0.80 ALDH1A1 (0.66) ALDH1A1QPCTEGLN3KDM4EAHR
SCHEMBL16216262 0.79 QPCT (0.49) ALDH1A1QPCTTBXAS1NCOA1NCOA3
SCHEMBL8429681 0.77 ALDH1A1 (0.61) ALDH1A1EGLN3KDM4EAHRNPSR1
SCHEMBL2824892 0.77 ALDH1A1 (0.66) ALDH1A1EGLN3KDM4EAHRNPSR1
SCHEMBL4968495 0.77 ALDH1A1 (0.60) ALDH1A1EGLN3TBXAS1CYP19A1
SCHEMBL16490699 0.76 ALDH1A1 (0.59) ALDH1A1QPCTEGLN3KDM4EAHR
SCHEMBL77978 0.75
SCHEMBL29218586 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EAHRNPSR1CYP19A1
Hydrochloric Acid SCHEMBL1904485 0.74 ALDH1A1 (0.96) ALDH1A1EGLN3TBXAS1CYP19A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-9874575-B2 Analysis of estradiol and analytes with phenolic OH using labeling chemistry and LC-MSMS workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-01-23 US disclosed
US-9874575-B2 Analysis of estradiol and analytes with phenolic OH using labeling chemistry and LC-MSMS workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-01-23 US disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 US disclosed
US-20120295856-A1 FREDERICAMYCIN DERIVATIVES ZENTOPHARM GMBH (DE) 2012-11-22 US disclosed
US-20120295856-A1 FREDERICAMYCIN DERIVATIVES ZENTOPHARM GMBH (DE) 2012-11-22 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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 (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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A ALDH1A1 173/4885QPCT 3962/4885EGLN3 706/4885
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ALDH1A1 2699/4885QPCT 575/4885EGLN3 524/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ALDH1A1 2699/4885QPCT 575/4885EGLN3 524/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 ALDH1A1 3787/4885QPCT 1588/4885EGLN3 3179/4885
US-20120295856-A1 FREDERICAMYCIN DERIVATIVES NISCH, MYC, MANBA ALDH1A1 1081/4885QPCT 97/4885EGLN3 3297/4885

“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.