SCHEMBL1241688

SCHEMBL1241688

COc1ccc(NC(C)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
EPHX2 P34913 3/20 0.50
EPHX1 P07099 1/20 0.50
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.43
KCNH3 Q9ULD8 1/20 0.43
DAPK3 O43293 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 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
SCHEMBL13945071 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL3343884 0.88 DAPK3 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL20684206 0.81 RAB9A (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL3959318 0.79 EPHX1 (0.45) SMN1; SMN2RAB9ANPC1EPHX2EPHX1
SCHEMBL29078140 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL29078142 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL11152053 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL9823117 0.77 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL1239047 0.77 BCL6 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL28522679 0.77 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885SMN1; SMN2 2536/4885RAB9A 4155/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885SMN1; SMN2 2536/4885RAB9A 4155/4885

“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.