SCHEMBL5568443

SCHEMBL5568443

CN(C)C(=O)Oc1ccc(CO)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCEH1 Q6PIU2 1/20 0.43
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 5/20 0.40
BCHE P06276 3/20 0.40
GLA P06280 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL26093046 0.78 KMT2A (0.41) KMT2ASMN1; SMN2MEN1
SCHEMBL14441113 0.74 RAB9A (0.56) RAB9APKMKMT2AALDH1A1GAA
SCHEMBL6450091 0.74 RAB9A (1.00) RAB9APKMKMT2AALDH1A1GAA
SCHEMBL2203220 0.74 RAB9A (0.73) RAB9APKMKMT2AALDH1A1GAA
SCHEMBL27667176 0.74 MAPT (0.38) KMT2AALDH1A1GAATSHRLMNA
SCHEMBL29723725 0.73 P2RX7 (0.45) ALDH1A1TSHRGLA
SCHEMBL29723727 0.73 P2RX7 (0.45) ALDH1A1TSHRGLA
SCHEMBL731990 0.73 P2RX7 (0.45) ALDH1A1TSHRGLA
SCHEMBL9566800 0.72 SMN1; SMN2 (0.52) RAB9AGAANPC1SMN1; SMN2BCHE
SCHEMBL23554538 0.72 NQO1 (0.50) KMT2ANPSR1TSHRNPC1

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-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
CN-1438890-A Adenosine receptor modulators HOFFMANNLA ROCHE AG F (CH) 2003-08-27 CN disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 RAB9A 3512/4885PKM 4776/4885KMT2A 2755/4885
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 RAB9A 1689/4885PKM 1600/4885KMT2A 2463/4885

“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.