SCHEMBL6313488

SCHEMBL6313488

O=C(OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 1.00
PTPN1 P18031 10/20 0.47
CDC25B P30305 8/20 0.47
PTPN2 P17706 5/20 0.46
PTPN11 Q06124 5/20 0.46
PTPN6 P29350 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BCHE P06276 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TACR2 P21452 2/20 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
SCHEMBL6313490 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8184231 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL749253 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8184232 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8928824 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9164604 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8928920 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418144 0.96 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418140 0.96 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL21749232 0.91 NT5E (0.84) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960568-B2 Nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-11-01 US disclosed
US-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-10-27 US disclosed
US-20040116362-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY 2004-06-17 US disclosed
US-6093698-A 1-(2',3',5'-TRIACETYL-BETA-D-RIBOFURANOSYL),2-BROMO,5,6-DICHLORO -BENZIMIDAZOLE OR 1-(5'-ACETYL-BETA-D-RIBOFURANOSYL),2-BROMO,5,6-DICHLORO-BENZIMIDAZOLE; TREATING HERPES VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-07-25 US disclosed
EP-0670845-B1 PROCESS FOR THE PREPARATION OF FLUDARABINE PHOSPHATE FROM GUANOSINE SCHERING AG (DE) 1998-01-14 EP disclosed
US-5705490-A TREATMENT OF HERPES OR CYTOMEGALOVIRUS WITH BENZIMIDAZOLE DERIATIVES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-01-06 US disclosed
US-5668270-A Process for the preparation of fludarabine or fludarabine phosphate from guanosine SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-16 US disclosed
US-5654283-A HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-08-05 US disclosed
US-5646125-A Polysubstituted benzimidazoles as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-07-08 US disclosed
US-5602246-A Process for the preparation of fludarabine or fludarabine phosphate from guanosine SCHERING AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
US-5574058-A Polysubstituted benzimidazoles as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-11-12 US disclosed
EP-0670845-A1 PROCESS FOR THE PREPARATION OF FLUDARABINE PHOSPHATE FROM GUANOSINE SCHERING AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
US-5360795-A Treating cytomegalo virus and herpes simplex viruses THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1994-11-01 US disclosed
WO-1994012514-A1 PROCESS FOR THE PREPARATION OF FLUDARABINE PHOSPHATE FROM GUANOSINE SCHERING AKTIENGESELLSCHAFT (DE) 1994-06-09 WO disclosed
WO-1994008456-A1 POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1994-04-28 WO disclosed
US-5180824-A 6-AZIDO-2-FLUOROPURINE, USEFUL IN THE SYNTHESIS OF NUCLEOSIDES BERLEX BIOSCIENCES INC. (US) 1993-01-19 US disclosed
US-4210745-A Procedure for the preparation of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-07-01 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 (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-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods ADAR, DCTD, ADA NT5E 49/4885PTPN1 2590/4885CDC25B 2622/4885

“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.