SCHEMBL417578

SCHEMBL417578

Nc1nc2c(c(=O)[nH]1)NCN2CC(CO)CCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.60
NOS1 P29475 3/20 0.32
USP2 O75604 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PAH P00439 1/20 0.32
ALDH1A1 P00352 2/20 0.31
BLM P54132 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31

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
Hydrochloric Acid SCHEMBL10507812 0.99 HPRT1 (0.59) HPRT1NOS1USP2CASP7HSD17B10
Phosphoric Acid SCHEMBL571369 0.95 HPRT1 (0.64) HPRT1NOS1
SCHEMBL7745028 0.91 HPRT1 (0.64) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10508833 0.89 HPRT1 (0.55) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10919055 0.86 HPRT1 (0.58) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10509781 0.86 HPRT1 (0.55) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10919050 0.85 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL146837 0.85 HPRT1 (0.58) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL9172629 0.85 HPRT1 (0.69) HPRT1
SCHEMBL7192798 0.84 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160346287-A1 METHOD OF TREATING VIRAL INFECTIONS EPIPHANY BIOSCIENCES, INC. 2016-12-01 US claimed
US-20150050241-A1 METHOD OF TREATING VIRAL INFECTIONS EPIPHANY BIOSCIENCES, INC. 2015-02-19 US claimed
WO-2014047562-A2 METHOD OF TREATING AND/OR PREVENTING SHINGLES AND METHOD OF TREATING AND/OR PREVENTING ZOSTER ASSOCIATED PAIN EPIPHANY BIOSCIENCES (US) 2014-03-27 WO claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US claimed
EP-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 EP claimed
JP-4503896-B2 2010-07-14 JP claimed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US claimed
WO-2009120358-A1 OLIGOMER-NITROGENOUS BASE CONJUGATES NEKTAR THERAPEUTICS (US) 2009-10-01 WO claimed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US claimed
EP-1194404-A1 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2002-04-10 EP claimed
EP-1131104-A1 ANTIVIRAL FORMULATIONS COMPRISING PROPYLENE GLYCOL AND AN ISOPROPYL ALKANOIC ACID ESTER MEDIVIR AB (SE) 2001-09-12 EP claimed
WO-2000076961-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-21 WO claimed
WO-2000029027-A1 ANTIVIRAL FORMULATIONS COMPRISING PROPYLENE GLYCOL AND AN ISOPROPYL ALKANOIC ACID ESTER MEDIVIR AB (SE) 2000-05-25 WO claimed
WO-1996022098-A1 USE OF ACYCLIC PURINE DERIVATIVES FOR TREATING RESTENOSIS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-25 WO claimed
EP-0165289-B1 NOVEL DERIVATIVES OF GUANINE Medivir Aktiebolag (SE) 1989-04-05 EP claimed
US-4798833-A VIRICIDES ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1989-01-17 US claimed
EP-0165289-A1 NOVEL DERIVATIVES OF GUANINE. ASTRA LAEKEMEDEL AB (SE) 1985-12-27 EP claimed
WO-1985002845-A1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1985-07-04 WO claimed
EP-0146516-A2 Derivatives of Guanine, process for their preparation and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-06-26 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20160346287-A1 METHOD OF TREATING VIRAL INFECTIONS IFNG, BCL9, GDA HPRT1 13/4885NOS1 3011/4885USP2 2970/4885
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 HPRT1 79/4885NOS1 1001/4885USP2 4833/4885
US-20150050241-A1 METHOD OF TREATING VIRAL INFECTIONS IFNG, BCL9, GDA HPRT1 13/4885NOS1 3011/4885USP2 2970/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 HPRT1 1520/4885NOS1 3069/4885USP2 329/4885

“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.