SCHEMBL4954498

SCHEMBL4954498

O=C(NCP(=O)(O)O)c1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.51
▸ HDAC3 O15379 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ USP30 Q70CQ3 1/20 0.49
▸ SMYD3 Q9H7B4 1/20 0.49
▸ DAGLA Q9Y4D2 1/20 0.48
▸ AURKA O14965 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ RET P07949 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PIM1 P11309 1/20 0.47

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
SCHEMBL24450206 0.82 HDAC3 (0.58) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL4069991 0.81 LMNA (0.57) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL4307360 0.81 EGLN1 (0.67) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL7423976 0.80 SMYD3 (0.58) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL6016962 0.79 HDAC2 (0.65) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL28377716 0.79 HDAC3 (0.65) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL10045194 0.78 HDAC3 (0.52) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL7106203 0.78 FAAH (0.53) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL1041931 0.78 FAAH (0.58) FAAHHDAC3HDAC1HDAC2CNR2
SCHEMBL4303744 0.77 KDM4E (0.57) FAAHHDAC3HDAC1HDAC2CNR2

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 FAAH 3138/4885HDAC3 330/4885HDAC1 2283/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK FAAH 2393/4885HDAC3 120/4885HDAC1 2033/4885

“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.

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