SCHEMBL2645484

SCHEMBL2645484

COC(=O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
GCK P35557 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.42
KCNH2 Q12809 2/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 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
SCHEMBL2651192 0.90 NPC1 (0.53) NPC1SMN1; SMN2GCKKCNH2
SCHEMBL2644961 0.87 FFAR2 (0.50) SMN1; SMN2GCKMEN1KMT2ARECQL
SCHEMBL2647945 0.87 KCNH2 (0.44) GCKKCNH2
SCHEMBL2645999 0.86 GCK (0.59) GCKKCNH2
SCHEMBL2647918 0.85 GCK (0.44) NPC1GCKKCNH2
SCHEMBL2646985 0.84 GCK (0.43) GCKKCNH2
SCHEMBL2648397 0.84 GCK (0.49) GCKKCNH2CYP1A2ALDH1A1
SCHEMBL27481289 0.83 KCNH2 (0.42) GCKKCNH2
SCHEMBL2647762 0.83 NPY5R (0.45) NPC1GCKMEN1KMT2AKCNH2
SCHEMBL2646198 0.83 GCK (0.47) GCKKCNH2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US claimed
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 claimed
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
CN-1151140-C Glucokinase activators - 2004-05-26 CN claimed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US claimed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN claimed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP 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
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO claimed
EP-1283830-B1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-06-18 EP disclosed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US 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
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO 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
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 NPC1 3972/4885SMN1; SMN2 4775/4885L3MBTL1 4069/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 4000/4885SMN1; SMN2 4774/4885L3MBTL1 4308/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 3972/4885SMN1; SMN2 4775/4885L3MBTL1 4069/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 3972/4885SMN1; SMN2 4775/4885L3MBTL1 4069/4885

“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.