SCHEMBL1340936

SCHEMBL1340936

COc1ccc(NC(=O)Nc2nc(CNS(C)(=O)=O)c(Sc3ccccn3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
GCK P35557 1/20 0.36
MAPT P10636 5/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MCL1 Q07820 1/20 0.34
GRM4 Q14833 1/20 0.34
ITK Q08881 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 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
SCHEMBL1343011 0.91 MAPT (0.35) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL1341287 0.90 ALDH1A1 (0.36) KMT2AMAPTRAB9ANPC1MEN1
SCHEMBL1340572 0.90 ALDH1A1 (0.38) KMT2AGCKMAPTRAB9ANPC1
SCHEMBL1343429 0.90 GRM4 (0.37) KMT2ARAB9ANPC1GRM4
SCHEMBL1341723 0.89 GCK (0.45) KMT2AGCKMAPTRAB9ANPC1
SCHEMBL1340703 0.89 MAPT (0.33) KMT2AGCKMAPTRAB9AMEN1
SCHEMBL1342481 0.88 GRM4 (0.35) MAPTGRM4
SCHEMBL1341130 0.87 MAPT (0.40) KMT2AMAPTRAB9ANPC1MEN1
SCHEMBL1341679 0.87 GCK (0.39) KMT2AGCKMAPTRAB9ANPC1
SCHEMBL1340257 0.87 CCNE1 (0.34) GCKRAB9AALDH1A1GRM4

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 KMT2A 1526/4885GCK 1/4885MAPT 2678/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 KMT2A 1526/4885GCK 1/4885MAPT 2678/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 KMT2A 1719/4885GCK 1/4885MAPT 2678/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 KMT2A 1526/4885GCK 1/4885MAPT 2678/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 KMT2A 1526/4885GCK 1/4885MAPT 2678/4885

“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.