SCHEMBL4956690

SCHEMBL4956690

ICCc1nc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
DDAH1 O94760 1/20 0.61
CHRM1 P11229 1/20 0.60
PDE10A Q9Y233 2/20 0.58
GAA P10253 1/20 0.58
BCHE P06276 1/20 0.56
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL230157 0.88 POLB (0.84) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL6244548 0.85 POLB (0.72) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7854448 0.84 POLB (0.92) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL2792590 0.84 DDAH1 (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7006523 0.84 POLB (1.00) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7854826 0.82 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL30701863 0.82 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7856315 0.82 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7856311 0.82 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL4249670 0.82 POLB (0.75) POLBNPC1RAB9ADDAH1CHRM1

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
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP disclosed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 US disclosed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 US disclosed
US-6946115-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2005-09-20 US disclosed
EP-1402895-A1 Benzimidazole inhibitors of fructose 1,6-biphosphatase Metabasis Therapeutics, Inc. (US) 2004-03-31 EP disclosed
EP-0970095-B1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2003-10-29 EP disclosed
US-6399782-B1 ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. 2002-06-04 US disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US disclosed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
US-6110903-A INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE SANKYO COMPANY LTD. (JP) 2000-08-29 US disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
EP-0970095-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2000-01-12 EP disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed
WO-1998039343-A9 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039343-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds HCRTR2, CYP2R1, SLC22A8 POLB 3495/4885NPC1 2871/4885RAB9A 3658/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK POLB 2525/4885NPC1 674/4885RAB9A 3443/4885

“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.