SCHEMBL1858053

SCHEMBL1858053

Cn1ccc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
GCK P35557 7/20 0.50
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KCNQ2 O43526 1/20 0.42
SLC6A3 Q01959 2/20 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
SCHEMBL1858054 1.00 KCNH2 (0.53) KCNH2GCKNPC1SMN1; SMN2RAB9A
SCHEMBL1860567 0.89 KCNH2 (0.69) KCNH2GCKNPC1SMN1; SMN2RAB9A
SCHEMBL1860566 0.89 KCNH2 (0.69) KCNH2GCKNPC1SMN1; SMN2RAB9A
SCHEMBL1862395 0.87 KCNH2 (0.49) KCNH2GCKKCNQ2SLC6A3FFAR2
SCHEMBL1862392 0.87 KCNH2 (0.49) KCNH2GCKKCNQ2SLC6A3FFAR2
SCHEMBL1861801 0.86 KCNH2 (0.48) KCNH2GCKKCNQ2SLC6A3
SCHEMBL1861804 0.86 KCNH2 (0.48) KCNH2GCKKCNQ2SLC6A3
SCHEMBL1861975 0.85 KCNH2 (0.47) KCNH2GCKLMNAKCNQ2SLC6A3
SCHEMBL1861977 0.85 KCNH2 (0.47) KCNH2GCKLMNAKCNQ2SLC6A3
SCHEMBL1860656 0.85 KCNH2 (0.51) KCNH2GCKLMNAKCNQ2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (1 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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 KCNH2 2241/4885GCK 2/4885NPC1 2373/4885

“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.