SCHEMBL2580969

SCHEMBL2580969

CCOC(=O)c1cc2cc(OCCOC)ncc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
MMP13 P45452 9/20 0.48
MMP2 P08253 6/20 0.48
MMP14 P50281 4/20 0.48

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
SCHEMBL1769913 0.87 RAB9A (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29878255 0.87 RAB9A (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4883938 0.85 SRD5A2 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6268309 0.82 GABRA1 (0.35) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2108919 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9081991 0.79 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31370745 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4815909 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2107136 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3955334 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599203-B1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-10-23 EP disclosed
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-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-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
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
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
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
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 KDM4E 721/4885ALDH1A1 2292/4885HPGD 1537/4885
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 KDM4E 4119/4885ALDH1A1 242/4885HPGD 569/4885
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 KDM4E 4185/4885ALDH1A1 167/4885HPGD 563/4885
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors F12, F5, F11 KDM4E 1059/4885ALDH1A1 2202/4885HPGD 1329/4885

“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.