SCHEMBL1341301

SCHEMBL1341301

O=C(Nc1nc(C(=O)O)c(Sc2ccccn2)s1)Nc1cccnc1C(=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ADORA3 P0DMS8 3/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK5 Q00535 5/20 0.36
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
PIP5K1C O60331 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NTRK1 P04629 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CDK5R1 Q15078 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
SCHEMBL2650014 0.94 CNR1 (0.35) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1342558 0.92 ALDH1A1 (0.38) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1344745 0.88 GCK (0.41) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1341645 0.87 CCNE1 (0.40) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1341296 0.87 KDM4C (0.41) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1342744 0.87 ALDH1A1 (0.37) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1340520 0.86 CCNE1 (0.37) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1341541 0.86 GCK (0.35) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1342122 0.85 CCNE1 (0.35) ALDH1A1ADORA3RAB9AL3MBTL1CDK5
SCHEMBL1342469 0.85 MAPT (0.38) ALDH1A1ADORA3RAB9AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-8063081-B2 N-(2-Phenoxyphenyl)-N'-(thiazol-2-yl)urea; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-11-22 US disclosed
US-7897628-B2 {2-[3-(4-Methyl-2-[2-methypropoxy]phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-03-01 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US 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 (5 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 ALDH1A1 192/4885ADORA3 3375/4885RAB9A 3353/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885ADORA3 3375/4885RAB9A 3353/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885ADORA3 3177/4885RAB9A 3335/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885ADORA3 3375/4885RAB9A 3353/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885ADORA3 3375/4885RAB9A 3353/4885

“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.