SCHEMBL1241491

SCHEMBL1241491

Brc1cccc(NCC2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.47
CDK2 P24941 4/20 0.46
CCNA2 P20248 3/20 0.46
CCNA1 P78396 3/20 0.46
GRK2 P25098 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PRKCQ Q04759 4/20 0.44
PTPN1 P18031 1/20 0.43
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
CDK1 P06493 2/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3125649 0.98 MEN1 (0.55) MEN1KMT2AALDH1A1CDK2CCNA2
SCHEMBL1419784 0.93 PRKCQ (0.48) MEN1KMT2AALDH1A1CDK2CCNA2
SCHEMBL12204104 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1PTPN1
SCHEMBL18642087 0.80 PRKCQ (0.48) PRKCQ
SCHEMBL18642055 0.79 CARM1 (0.42) MEN1KMT2APRKCQMAPTTHRB
SCHEMBL29922690 0.79 APP (0.44) MEN1KMT2AALDH1A1TDP1PTPN1
SCHEMBL31375628 0.79 EPHX2 (0.61) MEN1KMT2AALDH1A1L3MBTL1PRKCQ
SCHEMBL21799837 0.79 APP (0.44) MEN1KMT2AALDH1A1TDP1PTPN1
SCHEMBL16673467 0.78 MAPT (0.55) MEN1KMT2AMAPTLMNAEPHX1
SCHEMBL9679337 0.77 EPHX1 (0.54) MEN1KMT2AALDH1A1MAPTEPHX1

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 MEN1 3615/4885KMT2A 1200/4885ALDH1A1 1040/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 MEN1 3615/4885KMT2A 1200/4885ALDH1A1 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.