SCHEMBL1322160

SCHEMBL1322160

Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 15/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ LMNA P02545 1/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ PKM P14618 1/20 1.00
▸ HPGD P15428 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ TP53 P04637 1/20 0.77
▸ HIF1A Q16665 1/20 0.77
▸ ABCC4 O15439 1/20 0.77
▸ SLC28A3 Q9HAS3 1/20 0.77
▸ BLM P54132 1/20 0.77

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
SCHEMBL20579724 1.00 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL29784689 1.00 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL4351105 0.88 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL1321676 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL7617534 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL290702 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL29374837 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL6761745 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL31462888 0.87 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL20769890 0.83 SLC29A1 (0.71) SLC29A1CYP3A4LMNARAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461039-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING CILOSTAZOL AND AN ADENOSINE UPTAKE INHIBITOR OTSUKA PHARMA CO LTD (JP) 2014-10-22 — — EP claimed
US-20050165030-A1 Pharmaceutical compositions comprising a multifunctional phosphodiesterase inhibitor and an adenosine uptake inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-28 — — US claimed
EP-1461039-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A MULTIFUNCTIONAL PHOSPHODIESTERASE INHIBITOR AND AN ADENOSINE UPTAKE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-09-29 — — EP claimed
EP-1328261-A2 TREATMENT OF NEURODEGENERATIVE DISEASE Minerva Biotechnologies Corporation (US) 2003-07-23 — — EP claimed
WO-2003057222-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A MULTIFUNCTIONAL PHOSPHODIESTERASE INHIBITOR AND AN ADENOSINE UPTAKE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 — — WO claimed
US-20030060487-A1 Treatment of neurodegenerative disease MINERVA BIOTECHNOLOGIES CORPORATION 2003-03-27 — — US claimed
WO-2001078709-A2 TREATMENT OF NEURODEGENERATIVE DISEASE MINERVA BIOTECHNOLOGIES CORPORATION (US) 2001-10-25 — — WO claimed
US-5780450-A ADMINISTERING TOPICALLY, PARENTERALLY, ORALLY ALCON LABORATORIES, INC. (US) 1998-07-14 — — US claimed
WO-1997018815-A2 THE USE OF ADENOSINE UPTAKE INHIBITORS FOR TREATING RETINAL OR OPTIC NERVE HEAD DAMAGE ALCON LABORATORIES, INC. (US) 1997-05-29 — — WO claimed
US-12624008-B2 4-((6-oxopyrimidin-1(6H)-yl)methyl)benzoic acid as an inducer of Z A1AT secretion for treating AATD CENTESSA PHARMACEUTICALS (UK) LIMITED (GB) 2026-05-12 — — US disclosed
US-12611402-B2 Compounds and their use for the treatment of ALPHA1-antitrypsin deficiency CENTESSA PHARMACEUTICALS (UK) LIMITED (GB) 2026-04-28 — — US disclosed
EP-4072671-B1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF ALPHA1-ANTITRYPSIN DEFICIENCY CENTESSA PHARMACEUTICALS UK LTD (GB) 2025-09-17 — — EP disclosed
US-12365672-B2 Compounds and their use for the treatment of alpha1-antitrypsin deficiency CENTESSA PHARMACEUTICALS (UK) LIMITED (GB) 2025-07-22 — — US disclosed
US-12291507-B2 Compounds and their use for the treatment of ALPHA1-antitrypsin deficiency CENTESSA PHARMACEUTICALS (UK) LIMITED (GB) 2025-05-06 — — US disclosed
US-5780450-A ADMINISTERING TOPICALLY, PARENTERALLY, ORALLY ALCON LABORATORIES, INC. (US) 1998-07-14 — — US disclosed
EP-0814810-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1998-01-07 — — EP disclosed
WO-1997018815-A2 THE USE OF ADENOSINE UPTAKE INHIBITORS FOR TREATING RETINAL OR OPTIC NERVE HEAD DAMAGE ALCON LABORATORIES, INC. (US) 1997-05-29 — — WO disclosed
US-5629298-A INCREASING CONTRACTILE PERFORMANCE, ADENOSINE TRANSPORT INHIBITORS USED AS POTENTIATORS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-05-13 — — US disclosed
WO-1996028163-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-09-19 — — WO disclosed
WO-1991010907-A1 PHARMACOLOGICALLY ACTIVE COMPOUND SCREENING ANTIBODIES AND HIERARCHICAL CLUSTER ANALYSIS SYNBIOTICS CORPORATION (US) 1991-07-25 — — WO 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-20030060487-A1 Treatment of neurodegenerative disease HTT, IAPP, APP SLC29A1 2159/4885CYP3A4 4876/4885LMNA 1462/4885
US-12291507-B2 Compounds and their use for the treatment of ALPHA1-antitrypsin deficiency SERPINA2, SERPINB1, SERPINH1 SLC29A1 686/4885CYP3A4 1462/4885LMNA 675/4885
US-12611402-B2 Compounds and their use for the treatment of ALPHA1-antitrypsin deficiency SERPINA2, SERPINB1, SERPINE1 SLC29A1 343/4885CYP3A4 1031/4885LMNA 1612/4885
US-12624008-B2 4-((6-oxopyrimidin-1(6H)-yl)methyl)benzoic acid as an inducer of Z A1AT secretion for treating AATD SERPINA2, SERPINB1, SERPINE1 SLC29A1 898/4885CYP3A4 1868/4885LMNA 1462/4885
US-12365672-B2 Compounds and their use for the treatment of alpha1-antitrypsin deficiency SERPINA2, SERPINC1, SERPINB1 SLC29A1 494/4885CYP3A4 1236/4885LMNA 1194/4885

“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.

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