SCHEMBL2582069

SCHEMBL2582069

CCOC(=O)C(=O)Cc1cc(OCCOC)ncc1[N+](=O)[O-].[KH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
RAB9A P51151 3/20 0.41
PTGER4 P35408 1/20 0.41
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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
Potassium Ion SCHEMBL2582064 0.98 ALDH1A1 (0.41) ALDH1A1MAPTRAB9APTGER4KMT2A
SCHEMBL1769798 0.88 RAB9A (0.41) ALDH1A1MAPTRAB9APTGER4KMT2A
SCHEMBL2108298 0.83 ALDH1A1 (0.41) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL2815748 0.80 MAPT (0.39) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL29783014 0.80 ALDH1A1 (0.39) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL1203060 0.80 ALDH1A1 (0.39) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL29782841 0.80 ALDH1A1 (0.39) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL2108147 0.80 ALDH1A1 (0.39) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL12153775 0.78 ALDH1A1 (0.43) ALDH1A1MAPTRAB9APTGER4CYP2C19
SCHEMBL30681444 0.77 CES2 (0.39) ALDH1A1MAPTRAB9AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-13 US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 US disclosed
CN-100398105-C 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups, processes for their preparation and their use as pharmaceuticals SANNOFFE AVENTIS PHARMA GMBH (DE) 2008-07-02 CN disclosed
US-7317027-B2 1-substituted 2-carboxamide derivatives of fused ring pyrroles, especially pyrrolo[2,3-b]pyridines and pyrrolo[3,2-b]pyridines, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
CN-1753671-A 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups, processes for their preparation and their use as pharmaceuticals SANNOFFE AVENTIS PHARMA GMBH (DE) 2006-03-29 CN disclosed
EP-1636226-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND (DE) 2005-01-13 US disclosed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
US-20040209932-A1 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups; processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-21 US 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 (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-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors F12, F5, F11 ALDH1A1 2292/4885MAPT 4852/4885RAB9A 1055/4885
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, FFAR1 ALDH1A1 242/4885MAPT 4530/4885RAB9A 2937/4885
US-20040209932-A1 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups; processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A ALDH1A1 167/4885MAPT 4459/4885RAB9A 2826/4885
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors F12, F5, F11 ALDH1A1 2202/4885MAPT 4839/4885RAB9A 1360/4885

“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.