Sugi Predict

Sugi Predict / Compounds / SCHEMBL2646812

SCHEMBL2646812

SCHEMBL2646812

CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.75
▸ GCK P35557 14/20 0.61
▸ THRB P10828 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL2662856 1.00 KCNH2 (0.75) KCNH2GCKTHRBGAAMEN1
SCHEMBL2646056 0.89 KCNH2 (0.59) KCNH2GCKTHRBMEN1KMT2A
SCHEMBL2662852 0.89 KCNH2 (0.59) KCNH2GCKTHRBMEN1KMT2A
SCHEMBL2647093 0.89 KCNH2 (0.59) KCNH2GCKTHRBMEN1KMT2A
SCHEMBL2657144 0.89 KCNH2 (0.59) KCNH2GCKTHRBMEN1KMT2A
SCHEMBL2662847 0.86 KCNH2 (0.80) KCNH2GCKTHRBGAA
SCHEMBL2647589 0.86 KCNH2 (0.80) KCNH2GCKTHRBGAA
SCHEMBL2647237 0.86 KCNH2 (1.00) KCNH2GCKTHRBGAA
SCHEMBL2647239 0.86 KCNH2 (1.00) KCNH2GCKTHRBGAA
SCHEMBL2662844 0.86 KCNH2 (1.00) KCNH2GCKTHRBGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KCNH2 1022/4885GCK 2/4885THRB 1552/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885THRB 1552/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885THRB 1552/4885

“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.