SCHEMBL336389

SCHEMBL336389

Nc1nc2c(c(=O)[nH]1)NCN2C(O)OCCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.49
XDH P47989 1/20 0.36
PNP P00491 3/20 0.35
TK1 P04183 1/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 2/20 0.34
BLM P54132 2/20 0.34
CASP7 P55210 1/20 0.34
NOS1 P29475 1/20 0.34
PAH P00439 1/20 0.34
TSHR P16473 1/20 0.34
EDNRA P25101 1/20 0.34
HTR2A P28223 1/20 0.34
RECQL P46063 1/20 0.34
HBB P68871 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL10481441 0.99 HPRT1 (0.48) HPRT1XDHPNPTK1USP2
SCHEMBL10481435 0.99 HPRT1 (0.48) HPRT1XDHPNPTK1USP2
Water SCHEMBL10481481 0.99 HPRT1 (0.48) HPRT1XDHPNPTK1USP2
SCHEMBL10364107 0.99 HPRT1 (0.48) HPRT1XDHPNPTK1USP2
Water SCHEMBL10481474 0.99 HPRT1 (0.48) HPRT1XDHPNPTK1USP2
Ammonia Solution, Strong SCHEMBL10906972 0.99 HPRT1 (0.48) HPRT1XDHPNPTK1USP2
SCHEMBL11121517 0.99 HPRT1 (0.48) HPRT1XDHPNPTK1USP2
SCHEMBL3280693 0.89 HPRT1 (0.50) HPRT1USP2HSD17B10BLMCASP7
SCHEMBL2507689 0.86 HPRT1 (0.47) HPRT1XDHPNPTK1USP2
SCHEMBL6363806 0.85 HPRT1 (0.48) HPRT1USP2HSD17B10BLMCASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098641-B1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST JUDE PHARMACEUTICALS INC (US) 2016-04-27 EP claimed
WO-2009120358-A1 OLIGOMER-NITROGENOUS BASE CONJUGATES NEKTAR THERAPEUTICS (US) 2009-10-01 WO claimed
EP-1165570-B9 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2007-02-21 EP claimed
EP-1165570-B1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2006-08-23 EP claimed
EP-1658846-A1 Substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds for treating hepatitis virus infections G.D. SEARLE & CO. (US) 2006-05-24 EP claimed
US-20050119310-A1 Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections PHARMACIA CORPORATION 2005-06-02 US claimed
US-6673830-B2 COMPOUNDS FROM PLANTS OF THE GENUS CALOPHYLLUM, METHODS OF EXTRACTION AND USE AS TREATMENT FOR HUMAN IMMUMODEFICIENCY VIRUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES 2004-01-06 US claimed
US-20030220299-A1 Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants G.D. SEARLE & CO. 2003-11-27 US claimed
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections PHARMACIA CORPORATION 2003-10-16 US claimed
US-6515028-B1 Used alone, or in combination with another antiviral agents selected from among nucleosides, nucleotides, immunomodulators, immunostimulants or various combinations of such other agents G.D. SEARLE & CO. 2003-02-04 US claimed
US-4857316-A Synergistic antiviral composition SYNTEX (U.S.A.) INC. (US) 1989-08-15 US claimed
US-4642346-A VIRICIDES SYNTEX (U.S.A.) INC. (US) 1987-02-10 US claimed
US-4606917-A Synergistic antiviral composition SYNTEX (U.S.A) INC. (US) 1986-08-19 US claimed
EP-0187702-A1 N-(omega,omega-1-dialkoxy)- and N-(omega,omega-1-dialkenoxy)-alk-1-yl-N,N,N-trisubstituted ammonium surfactants, their preparation and pharmaceutical formulations containing them SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP claimed
EP-0066208-B1 9-(1,3-DIHYDROXY-2-PROPOXYMETHYL)-GUANINE AS ANTIVIRAL AGENT SYNTEX (U.S.A.) INC. (US) 1985-10-02 EP claimed
US-4507305-A 9-(1,3-Dihydroxy-2-propoxymethyl)guanine as antiviral agent SYNTEX (U.S.A.) INC. (US) 1985-03-26 US claimed
EP-0105486-A2 1-Monophosphate esters, 1,3-bisphosphate esters and cyclic phosphate esters of 9-(1,3-dihydroxy-2-propoxymethyl)-guanine as antiviral agents SYNTEX (U.S.A.) INC. (US) 1984-04-18 EP claimed
US-4423050-A 9-(1,3-Dihydroxy-2-propoxymethyl)guanine as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-12-27 US claimed
EP-0066208-A1 9-(1,3-Dihydroxy-2-propoxymethyl)-guanine as antiviral agent SYNTEX (U.S.A.) INC. (US) 1982-12-08 EP claimed
US-4355032-A 9-(1,3-Dihydroxy-2-propoxymethyl)guanine as antiviral agent SYNTEX (U.S.A.) INC. (US) 1982-10-19 US 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 (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-20030195229-A1 Glucamine salts for treating hepatitis virus infections UGGT1, GYS2, MGAT3 HPRT1 140/4885XDH 523/4885PNP 53/4885
US-20050119310-A1 Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections HAVCR2, DERA, IMPDH1 HPRT1 308/4885XDH 599/4885PNP 55/4885
US-20030220299-A1 Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants IMPDH1, HAVCR2, IMPDH2 HPRT1 106/4885XDH 366/4885PNP 8/4885

“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.