SCHEMBL4570448

SCHEMBL4570448

Nc1nc(Cl)c2ncn(CC(CO)CCO)c2n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC4 P56524 1/20 0.50
HSP90AA1 P07900 12/20 0.47
HSP90AB1 P08238 12/20 0.47
HDAC2 Q92769 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
SCHEMBL4570450 0.87 CCNE1 (0.58) HSP90AA1HSP90AB1
Omaciclovir SCHEMBL14569460 0.86 CCNE1 (0.43) HDAC6HDAC1HDAC4
SCHEMBL31187469 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL2916968 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL5930461 0.83 HDAC6 (0.48) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL5513793 0.80 HSP90AB1 (0.46) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL5513784 0.80 HSP90AB1 (0.46) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL31058755 0.79 HDAC6 (0.54) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
Acetic Acid SCHEMBL28553746 0.79 CYP2C19 (0.48) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL10509135 0.79 CCNE1 (0.41) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2012-05-17 US disclosed
US-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2012-05-17 US disclosed
US-8124609-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2012-02-28 US disclosed
US-8124609-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2012-02-28 US disclosed
US-20090076041-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2009-03-19 US disclosed
US-20090076041-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2009-03-19 US disclosed
US-7432274-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2008-10-07 US disclosed
US-7432274-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2008-10-07 US disclosed
US-7189849-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2007-03-13 US disclosed
US-7189849-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2007-03-13 US disclosed
US-5656617-A ANTIVIRAL AGENT MEDIVIR AB (SE) 1997-08-12 US disclosed
US-5565461-A TREATING HUMAN IMMUNODEFICIENCY VIRUS MEDIVIR AB (SE) 1996-10-15 US disclosed
US-5284837-A Viricides MEDIVIR AB (SE) 1994-02-08 US disclosed
EP-0343133-B1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Medivir Aktiebolag (SE) 1992-04-08 EP disclosed
EP-0343133-A1 Derivatives of purine, process for their preparation and a pharmaceutical preparation Medivir Aktiebolag (SE) 1989-11-23 EP disclosed
WO-1989010923-A1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION MEDIVIR AB (SE) 1989-11-16 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 (2 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-20090076041-A1 ACYCLIC NUCLEOSIDE DERIVATIVES NUDT1, PNP, NSUN2 HDAC6 2601/4885HDAC1 720/4885HDAC4 2015/4885
US-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES NUDT1, PNP, NSUN2 HDAC6 2548/4885HDAC1 720/4885HDAC4 1961/4885

“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.