SCHEMBL1128958

SCHEMBL1128958

Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n(N=[N+]=[N-])c1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.48
LMNA P02545 4/20 0.48
TSHR P16473 3/20 0.48
ALB P02768 1/20 0.48
PKM P14618 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
CYP2D6 P10635 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
TK2 O00142 1/20 0.43
ALOX12 P18054 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRB1 P08588 1/20 0.42
DNMT1 P26358 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1128956 1.00 TK1 (0.48) TK1LMNATSHRALBPKM
SCHEMBL27636538 0.81 LMNA (0.38) TK1LMNATSHRALBPKM
SCHEMBL9449648 0.81 LMNA (0.38) TK1LMNATSHRALBPKM
SCHEMBL27532981 0.81 LMNA (0.38) TK1LMNATSHRALBPKM
Phosphoric Acid SCHEMBL16012924 0.81 TK1 (0.46) TK1LMNATSHRALBPKM
SCHEMBL3813740 0.81 LMNA (0.41) TK1LMNATSHRALBPKM
SCHEMBL7745421 0.80 TK1 (0.50) TK1LMNATSHRBLMPMP22
SCHEMBL6258929 0.80 TK1 (0.50) TK1LMNATSHRBLMPMP22
3-Methylthymidine SCHEMBL17794002 0.80 TK1 (0.50) TK1LMNATSHRBLMPMP22
3-Methylthymidine SCHEMBL2246880 0.80 TK1 (0.50) TK1LMNATSHRBLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104812383-A Combination of therapeutic agents for treating HCV infection HOFFMANN LA ROCHE 2015-07-29 CN claimed
CN-102020697-B Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication F. HOFFMANN-LA ROCHE LTD. (CH) 2014-10-29 CN claimed
CN-102712644-A Novel macrocyclic inhibitors of hepatitis C virus replication HOFFMANN LA ROCHE 2012-10-03 CN claimed
CN-1889970-B Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC 2012-06-13 CN claimed
CN-102361641-A Combination of a nucleoside polymerase inhibitor with a macrocyclic protease inhibitor and use thereof in the treatment of hepatitis C, liver fibrosis and impaired liver function INTERMUNE INC 2012-02-22 CN claimed
CN-102020697-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication INTERMUNE INC 2011-04-20 CN claimed
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP claimed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO claimed
JP-4584260-B2 2010-11-17 JP claimed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO claimed
CN-1938311-A Macrocyclic compounds as inhibitors of viral replication INTERMUNE INC (US) 2007-03-28 CN claimed
CN-1889970-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC (US) 2007-01-03 CN claimed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP claimed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO claimed
CN-115551917-B Sequential targeting of cross-linked nanotherapeutics for the treatment of brain tumors 加利福尼亚大学董事会 2025-06-13 CN disclosed
WO-2024123749-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USE THEREOF INSTITUTE FOR SYSTEMS BIOLOGY (US) 2024-06-13 WO disclosed
US-20230076792-A1 SEQUENTIAL TARGETING IN CROSSLINKING NANO-THERANOSTICS FOR TREATING BRAIN TUMORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-03-09 US disclosed
EP-0371366-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1990-06-06 EP disclosed
WO-1990005736-A2 NUCLEOSIDE ANALOGUES MEDICAL RESEARCH COUNCIL (GB) 1990-05-31 WO disclosed
EP-0350194-A2 Control of electrokinetic potential by treatment with redox agents BECKMAN INSTRUMENTS, INC. (US) 1990-01-10 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 (1 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-20230076792-A1 SEQUENTIAL TARGETING IN CROSSLINKING NANO-THERANOSTICS FOR TREATING BRAIN TUMORS TIE1, CA12, CA13 TK1 1878/4885LMNA 3488/4885TSHR 2376/4885

“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.