SCHEMBL1343729

SCHEMBL1343729

Cc1ccc(NC(=O)Nc2ncc(CNC(=O)NCCN(C)C)s2)c(OCC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
AURKA O14965 1/20 0.35
LPAR1 Q92633 2/20 0.35
MAPT P10636 1/20 0.35
MAPK14 Q16539 5/20 0.34
CHEK1 O14757 1/20 0.34
MAPK13 O15264 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6701777 0.93 AURKA (0.39) ALDH1A1NPSR1AURKALPAR1MAPK14
SCHEMBL1341639 0.88 KDM4E (0.36) ALDH1A1PKMAURKALPAR1MAPK14
SCHEMBL1341613 0.87 LPAR1 (0.39) PKMLPAR1MAPTMAPK14MAPK13
SCHEMBL1342698 0.86 ALDH1A1 (0.40) ALDH1A1PKMNPSR1LPAR1
SCHEMBL1342739 0.86 LPAR1 (0.40) PKMLPAR1MAPTMAPK14MAPK13
SCHEMBL1343714 0.86 LPAR1 (0.38) PKMLPAR1MAPTMAPK14MAPK13
SCHEMBL1342849 0.86 LPAR1 (0.39) ALDH1A1LPAR1MAPTMAPK14MAPK13
SCHEMBL1343242 0.84 LPAR1 (0.37) PKMLPAR1MAPTMAPK14MAPK13
SCHEMBL6696273 0.84 AURKA (0.39) ALDH1A1AURKAMAPK14MAPK13
SCHEMBL6696013 0.82 AURKA (0.39) AURKALPAR1MAPK14MAPK13

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 192/4885PKM 70/4885NPSR1 4696/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885PKM 70/4885NPSR1 4696/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885PKM 122/4885NPSR1 4794/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885PKM 70/4885NPSR1 4696/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885PKM 70/4885NPSR1 4696/4885

“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.