SCHEMBL1241609

SCHEMBL1241609

Fc1cc(Br)ccc1NCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.46
MAP2K1 Q02750 1/20 0.44
ALDH1A1 P00352 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
PTGER4 P35408 1/20 0.41
KDM4C Q9H3R0 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
KDM8 Q8N371 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
SCHEMBL1242071 0.83 CNR1 (0.50) ALDH1A1KDM4CKDM4EASPHRIOX2
SCHEMBL20460623 0.79 NPC1 (0.42) ALDH1A1KDM4CMEN1KMT2AKDM4E
SCHEMBL2950591 0.79 AAK1 (0.62) AAK1ALDH1A1IDO1TDO2PTGER4
SCHEMBL20460622 0.79 KDM4C (0.42) MAP2K1ALDH1A1IDO1TDO2KDM4C
SCHEMBL24321820 0.77 AAK1 (0.56) AAK1ALDH1A1IDO1TDO2PTGER4
SCHEMBL1528478 0.76 AAK1 (0.51) AAK1ALDH1A1IDO1TDO2PTGER4
SCHEMBL31259141 0.75 AOC1 (0.47) AAK1ALDH1A1IDO1TDO2PTGER4
SCHEMBL6229052 0.75 KMT2A (0.46) MAP2K1ALDH1A1KDM4CMEN1KMT2A
SCHEMBL1240858 0.75 EPHX2 (0.46) ALDH1A1IDO1TDO2PTGER4KDM4C
SCHEMBL3133410 0.73 PTGER4 (0.54) AAK1MAP2K1IDO1TDO2PTGER4

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-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP 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 AAK1 356/4885MAP2K1 1988/4885ALDH1A1 1040/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 AAK1 356/4885MAP2K1 1988/4885ALDH1A1 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.