SCHEMBL1663919

SCHEMBL1663919

Nc1nc(Cl)c2ncn(CC[C@H](CO)COCc3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC4 P56524 1/20 0.43
MGMT P16455 1/20 0.42
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
ADORA2A P29274 3/20 0.40
HPRT1 P00492 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1663924 1.00 HDAC1 (0.43) HDAC1HDAC2HDAC6HDAC4MGMT
SCHEMBL1663801 1.00 HDAC1 (0.43) HDAC1HDAC2HDAC6HDAC4MGMT
SCHEMBL10510295 0.94 HDAC1 (0.44) HDAC1HDAC2HDAC6HDAC4MGMT
SCHEMBL5962141 0.84 HSP90AB1 (0.38) HDAC1HDAC2HDAC6HDAC4HSP90AA1
SCHEMBL6940477 0.84 HSP90AB1 (0.38) HDAC1HDAC2HDAC6HDAC4HSP90AA1
SCHEMBL31187469 0.83 HDAC6 (0.49) HDAC1HDAC2HDAC6HDAC4HSP90AA1
SCHEMBL2916968 0.83 HDAC6 (0.49) HDAC1HDAC2HDAC6HDAC4HSP90AA1
SCHEMBL1663883 0.83 PNP (0.58) ALDH1A1CYP3A4HIF1AHPRT1HSD17B10
SCHEMBL1665922 0.83 PNP (0.58) ALDH1A1CYP3A4HIF1AHPRT1HSD17B10
Hydrochloric Acid SCHEMBL5930461 0.82 HDAC6 (0.48) HDAC1HDAC6HDAC4HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281470-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20110092458-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases NOVARTIS PHARMACEUTICALS CORPORATION 2011-04-21 US disclosed
US-7045525-B1 Use of (R)-peniciclovir triphosphate for the manufacture of a medicament for the treatment of viral diseases NOVARTIS AG (CH) 2006-05-16 US disclosed
US-20060069108-A1 Use of (R)-penciclovir triphosphate for the manufacture of a medicament for the treatment of viral diseases NOVARTIS PHARMACEUTICALS CORPORATION 2006-03-30 US disclosed
EP-0822817-B1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES NOVARTIS INT PHARM LTD (BM) 2003-07-23 EP disclosed
EP-0822817-A1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES SMITHKLINE BEECHAM PLC (GB) 1998-02-11 EP disclosed
WO-1996033720-A1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES SMITHKLINE BEECHAM PLC (GB) 1996-10-31 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 (3 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-20110092458-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases TYMP, PNP, HPRT1 HDAC1 2139/4885HDAC2 3261/4885HDAC6 3959/4885
US-20130281470-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases TYMP, PNP, HPRT1 HDAC1 2139/4885HDAC2 3261/4885HDAC6 3959/4885
US-20060069108-A1 Use of (R)-penciclovir triphosphate for the manufacture of a medicament for the treatment of viral diseases TYMP, PNP, HPRT1 HDAC1 2139/4885HDAC2 3261/4885HDAC6 3959/4885

“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.