SCHEMBL1343594

SCHEMBL1343594

Cc1ccc([N+](=O)[O-])c(OCC2CCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 4/20 0.44
TP53 P04637 1/20 0.44
PDE10A Q9Y233 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1341883 0.96 CHEK1 (0.54) CHEK1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL6215780 0.86 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL12323265 0.82 HCAR3 (0.60) CHEK1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL10550058 0.82 NPC1 (0.53) CHEK1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL12323267 0.82 ALDH1A1 (0.55) CHEK1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1341199 0.81 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL1340683 0.80 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL10545783 0.79 DRD4 (0.48) CHEK1POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL12180345 0.79 RAB9A (0.62) POLBMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1341685 0.78 RAB9A (0.48) POLBMAPTRAB9ASMN1; SMN2ALDH1A1

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 13 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
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 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 (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 CHEK1 2689/4885POLB 3676/4885MAPT 2678/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CHEK1 2689/4885POLB 3676/4885MAPT 2678/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 CHEK1 3203/4885POLB 3890/4885MAPT 2678/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CHEK1 2689/4885POLB 3676/4885MAPT 2678/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CHEK1 2689/4885POLB 3676/4885MAPT 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.