SCHEMBL2651401

SCHEMBL2651401

O=C(Nc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.61
FFAR2 O15552 2/20 0.60
KCNH2 Q12809 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 1/20 0.43
ADORA2A P29274 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2652156 0.91 GCK (0.66) GCKFFAR2KCNH2SMN1; SMN2NPC1
SCHEMBL2650059 0.89 GCK (0.66) GCKFFAR2KCNH2SMN1; SMN2MEN1
SCHEMBL2654390 0.86 GCK (0.66) GCKFFAR2KCNH2SMN1; SMN2ALDH1A1
SCHEMBL2647322 0.85 GCK (0.66) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2651139 0.84 RAB9A (0.49) KCNH2SMN1; SMN2NPC1TP53RAB9A
SCHEMBL2650820 0.83 RAB9A (0.57) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL2650556 0.82 GCK (0.62) GCKFFAR2KCNH2SMN1; SMN2NPC1
SCHEMBL27560127 0.82 GCK (0.46) GCKFFAR2SMN1; SMN2NPC1TP53
SCHEMBL2654951 0.81 GCK (0.74) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2664673 0.81 GCK (0.74) GCKFFAR2KCNH2SMN1; SMN2NPC1

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
EP-1283830-B1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-06-18 EP claimed
US-20030060625-A1 Para-amine substituted phenylamide glucokinase activators BIZZARRO FRED THOMAS (US) 2003-03-27 US claimed
EP-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 EP claimed
US-20010051731-A1 Para-amine substituted phenylamide glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-13 US claimed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO claimed
EP-1283830-B1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-06-18 EP disclosed
EP-1283830-B1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-06-18 EP disclosed
US-20030060625-A1 Para-amine substituted phenylamide glucokinase activators BIZZARRO FRED THOMAS (US) 2003-03-27 US disclosed
EP-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 EP disclosed
US-6489485-B2 INCREASES INSULIN SECRETION; TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-12-03 US disclosed
US-20010051731-A1 Para-amine substituted phenylamide glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-13 US disclosed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO disclosed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 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 (2 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-20010051731-A1 Para-amine substituted phenylamide glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1016/4885KCNH2 478/4885
US-20030060625-A1 Para-amine substituted phenylamide glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1016/4885KCNH2 478/4885

“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.