SCHEMBL4803445

SCHEMBL4803445

CCOP(=O)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])OCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13753359 0.82 HPGD (0.51) HPGDPOLBMEN1KMT2AMAPT
SCHEMBL4801317 0.80 HPGD (0.42) HPGDKMT2AMAPK1ALDH1A1RAB9A
Diethylamine SCHEMBL10658946 0.78 HPGD (0.47) HPGDPOLBMEN1KMT2AMAPT
SCHEMBL17707781 0.74 TSHR (0.53) HPGDPOLBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL10658942 0.74 ALDH1A1 (0.53) HPGDPOLBMAPTMAPK1ALDH1A1
SCHEMBL27621717 0.73 KMT2A (0.46) HPGDPOLBMEN1KMT2AMAPT
SCHEMBL4803441 0.72 MAPT (0.41) HPGDPOLBMEN1KMT2AMAPT
SCHEMBL2211359 0.72 KMT2A (0.50) HPGDPOLBMEN1KMT2AMAPT
SCHEMBL27568687 0.72 MAPT (0.44) HPGDPOLBMEN1KMT2AMAPT
SCHEMBL9588968 0.70 TSHR (0.41) HPGDPOLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371739-B2 Aryl fructose-1,6-bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. (US) 2008-05-13 US disclosed
EP-1265907-B9 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-05-09 EP disclosed
EP-1265907-B1 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-01-03 EP disclosed
EP-1607401-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors Metabasis Therapeutics, Inc. (US) 2005-12-21 EP disclosed
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors BOOKSER BRETT C (US) 2005-08-11 US disclosed
US-6919322-B2 Phenyl Phosphonate Fructose-1,6-Bisphosphatase Inhibitors METABASIS THERAPEUTICS, INC. (US) 2005-07-19 US disclosed
EP-1265907-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS Metabasis Therapeutics, Inc. (US) 2002-12-18 EP disclosed
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. 2002-04-04 US disclosed
WO-2001066553-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS, INC. (US) 2001-09-13 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-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 HPGD 1438/4885POLB 4383/4885MEN1 1728/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 HPGD 1303/4885POLB 4402/4885MEN1 2273/4885

“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.