SCHEMBL1341097

SCHEMBL1341097

O=C(O)Cc1nc(NC(=O)Nc2ccc(Cl)cc2C(=O)C2CCCC2)sc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RAB9A P51151 2/20 0.36
SERPINE1 P05121 3/20 0.36
GRIK1 P39086 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
CXCR2 P25025 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MAOA P21397 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
SCHEMBL1341338 0.91 GCK (0.39) PLA2G1BATG4BCASP3SENP8SENP7
SCHEMBL1341926 0.89 ABCC1 (0.37) RAB9AKMT2AMEN1MAOAMAOB
SCHEMBL1342588 0.89 LMNA (0.41) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL1340199 0.88 ALDH1A1 (0.39) RAB9AKDM4EHSD17B10KMT2ANPSR1
SCHEMBL1341589 0.86 CSNK1D (0.40) KMT2ARXFP1MEN1
SCHEMBL1342584 0.86 MAPT (0.42) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL1341735 0.86 PTGDR2 (0.35) RAB9AKDM4EHSD17B10KMT2ANPSR1
SCHEMBL1342330 0.86 LMNA (0.35) PLA2G1BATG4BCASP3SENP8SENP7
SCHEMBL1342326 0.86 CLK1 (0.37) PLA2G1BATG4BCASP3SENP8SENP7
SCHEMBL1342772 0.86 MAPT (0.38) CASP3SENP8SENP7SENP6RAB9A

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 10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PLA2G1B 3965/4885ATG4B 2039/4885CASP3 1248/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 PLA2G1B 3965/4885ATG4B 2039/4885CASP3 1248/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 PLA2G1B 3666/4885ATG4B 2478/4885CASP3 996/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 PLA2G1B 3965/4885ATG4B 2039/4885CASP3 1248/4885

“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.