SCHEMBL2645368

SCHEMBL2645368

O=C(Nc1ccccn1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GCK P35557 3/20 0.47
RAB9A P51151 3/20 0.47
STAT1 P42224 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
FFAR2 O15552 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL2645919 0.88 GCK (0.47) NPC1SMN1; SMN2ALDH1A1GCKKCNH2
SCHEMBL2658503 0.85 S1PR1 (0.48) SMN1; SMN2ALDH1A1GCKMEN1KMT2A
SCHEMBL2648460 0.85 MEN1 (0.48) NPC1LMNAALDH1A1GCKRAB9A
SCHEMBL2645502 0.85 S1PR1 (0.48) SMN1; SMN2ALDH1A1GCKMEN1KMT2A
SCHEMBL2644373 0.85 S1PR1 (0.64) NPC1SMN1; SMN2GCKRAB9AMEN1
SCHEMBL2647313 0.84 KCNH2 (0.51) NPC1SMN1; SMN2MAPTALDH1A1GCK
SCHEMBL2658412 0.84 KCNH2 (0.51) NPC1SMN1; SMN2MAPTALDH1A1GCK
SCHEMBL2646362 0.83 GCK (0.67) GCKKCNH2KDM4E
SCHEMBL2658068 0.83 GCK (0.67) GCKKCNH2KDM4E
SCHEMBL2648412 0.83 KCNH2 (0.48) NPC1LMNAGCKRAB9AMEN1

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 30 patents — showing the first 20. 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
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-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-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-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
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-20010051731-A1 Para-amine substituted phenylamide glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-13 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
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 (5 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 4775/4885MAPT 4407/4885
US-20010051731-A1 Para-amine substituted phenylamide glucokinase activators GCKR, GCK, PDXK NPC1 2665/4885SMN1; SMN2 3978/4885MAPT 4229/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 4000/4885SMN1; SMN2 4774/4885MAPT 4402/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 3972/4885SMN1; SMN2 4775/4885MAPT 4407/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK NPC1 3972/4885SMN1; SMN2 4775/4885MAPT 4407/4885

“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.