SCHEMBL2645294

SCHEMBL2645294

O=C(Nc1nccs1)C(CC1CCCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 11/20 0.59
▸ FFAR2 O15552 1/20 0.54
▸ KCNH2 Q12809 1/20 0.51
▸ EPHX2 P34913 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MGAM O43451 1/20 0.45
▸ SI P14410 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ HTT P42858 1/20 0.44

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
SCHEMBL2645296 0.82 GCK (0.72) GCKFFAR2KCNH2EPHX2CYP1A2
SCHEMBL2646547 0.81 FFAR2 (0.63) GCKFFAR2KCNH2EPHX2GAA
SCHEMBL2658153 0.81 FFAR2 (0.63) GCKFFAR2KCNH2EPHX2GAA
SCHEMBL2664673 0.81 GCK (0.74) GCKFFAR2KCNH2EPHX2CYP1A2
SCHEMBL2657645 0.81 GCK (0.62) GCKFFAR2KCNH2EPHX2CYP1A2
SCHEMBL2647097 0.81 GCK (0.62) GCKFFAR2KCNH2EPHX2CYP1A2
Pyrimidine SCHEMBL2650905 0.79 GCK (0.53) GCKFFAR2KCNH2EPHX2CYP1A2
SCHEMBL2647391 0.79 GCK (0.62) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2647114 0.78 KCNH2 (0.75) GCKFFAR2KCNH2GAAHTT
SCHEMBL27548010 0.78 GCK (0.59) GCKFFAR2KCNH2EPHX2POLB

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
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
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN 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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN 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 GCK 2/4885FFAR2 1513/4885KCNH2 1022/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1419/4885KCNH2 1062/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1513/4885KCNH2 1022/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1513/4885KCNH2 1022/4885

“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.

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