SCHEMBL2646479

SCHEMBL2646479

O=C(Nc1ccc([N+](=O)[O-])cn1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KCNH2 Q12809 2/20 0.52
NPC1 O15118 5/20 0.51
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
GCK P35557 6/20 0.41
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR2 O15552 1/20 0.39

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
SCHEMBL2646114 0.86 KCNH2 (0.57) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL2646372 0.86 KCNH2 (0.57) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL2646300 0.85 KCNH2 (0.56) KCNH2GCKFFAR2
SCHEMBL2659252 0.85 KCNH2 (0.56) KCNH2GCKFFAR2
SCHEMBL2645843 0.84 KCNH2 (0.55) SMN1; SMN2MEN1KMT2AKCNH2NPC1
SCHEMBL2646817 0.84 KCNH2 (0.58) KCNH2NPC1GCKRAB9A
SCHEMBL2646610 0.84 KCNH2 (0.55) SMN1; SMN2MEN1KMT2AKCNH2NPC1
SCHEMBL2657346 0.83 KCNH2 (0.54) KCNH2GCKFFAR2
SCHEMBL2645806 0.83 KCNH2 (0.55) KCNH2GCKFFAR2
SCHEMBL2657336 0.83 KCNH2 (0.55) KCNH2GCKFFAR2

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
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US claimed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US claimed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US claimed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SMN1; SMN2 4775/4885MAPT 4407/4885MEN1 3699/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SMN1; SMN2 4774/4885MAPT 4402/4885MEN1 3987/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SMN1; SMN2 4775/4885MAPT 4407/4885MEN1 3699/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SMN1; SMN2 4775/4885MAPT 4407/4885MEN1 3699/4885

“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.