SCHEMBL1340465

SCHEMBL1340465

O=[N+]([O-])c1ccccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MAPT P10636 4/20 0.51
PTGES O14684 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SERPINE1 P05121 1/20 0.45
CETP P11597 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MASP2 O00187 1/20 0.45
F2 P00734 1/20 0.45

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
SCHEMBL13881915 0.89 LMNA (0.55) POLBMAPTHPGDTDP1MEN1
SCHEMBL10360452 0.85 L3MBTL1 (0.59) POLBMAPTL3MBTL1HPGDTDP1
SCHEMBL6748915 0.84 MAPT (0.47) POLBMAPTPTGESHPGDTDP1
SCHEMBL30740405 0.84 POLB (0.64) POLBMAPTL3MBTL1HPGDTDP1
SCHEMBL643370 0.84 POLB (0.64) POLBMAPTL3MBTL1HPGDTDP1
SCHEMBL31120713 0.83 CETP (0.50) POLBMAPTL3MBTL1HPGDTDP1
SCHEMBL29149366 0.82 PTGES (0.55) POLBMAPTPTGESTDP1MEN1
SCHEMBL13220963 0.82 MAPT (0.62) POLBMAPTL3MBTL1HPGDTDP1
SCHEMBL4607970 0.81 MAPT (0.47) POLBMAPTPTGESTDP1MEN1
SCHEMBL31090831 0.81 MAPT (0.60) POLBMAPTHPGDTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106336380-A Diphenyl ether structure-containing pyrazolecarboxamide compound and its preparation method and use 浙江省化工研究院有限公司 2017-01-18 CN disclosed
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 POLB 3676/4885MAPT 2678/4885PTGES 1803/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 POLB 3676/4885MAPT 2678/4885PTGES 1803/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 POLB 3890/4885MAPT 2678/4885PTGES 1601/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 POLB 3676/4885MAPT 2678/4885PTGES 1803/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 POLB 3676/4885MAPT 2678/4885PTGES 1803/4885

“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.