SCHEMBL1241825

SCHEMBL1241825

COc1c(Cl)cccc1N(C)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.35
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 3/20 0.35
GAA P10253 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1238722 0.81 HPGD (0.43) HPGDTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL1241678 0.80 TSHR (0.42) HPGDTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL1238866 0.79 HPGD (0.41) HPGDTSHRALDH1A1GAAJAK2
Nitrogen SCHEMBL10785330 0.77 HPGD (0.49) HPGDTSHRALDH1A1GAAJAK2
Nitrogen SCHEMBL10976787 0.74 KDM4E (0.38) HPGDALDH1A1GAAKDM4EADRA2A
SCHEMBL1240970 0.72 POLB (0.37) HPGDTSHRALDH1A1GAAJAK2
SCHEMBL8689183 0.72 IDO1 (0.43) JAK2JAK1JAK3ADRA2AADRA2B
SCHEMBL29048096 0.70 KDM4E (0.43) HPGDTSHRALDH1A1GAALMNA
SCHEMBL254822 0.70 KDM4E (0.46) HPGDTSHRALDH1A1GAALMNA
SCHEMBL10687455 0.69 KDM4E (0.41) HPGDALDH1A1GAALMNAKDM4E

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 HPGD 1380/4885TSHR 3898/4885ALDH1A1 1040/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 HPGD 1380/4885TSHR 3898/4885ALDH1A1 1040/4885

“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.