SCHEMBL1341504

SCHEMBL1341504

C=C(C)COc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
S1PR4 O95977 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5905874 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL3201816 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL10197531 0.84 NPC1 (0.46) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL3199054 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL3200247 0.84 MAPK1 (0.47) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL1341858 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL10619771 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL9204550 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL5068190 0.81 MAPT (0.58) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL5443492 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2ALMNAMEN1

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 15 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
CN-101130526-B Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS 2013-07-10 CN 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
CN-101130526-A Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS (DK) 2008-02-27 CN 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 ALDH1A1 192/4885KDM4E 992/4885KMT2A 1526/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885KMT2A 1526/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885KDM4E 1420/4885KMT2A 1719/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885KMT2A 1526/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885KMT2A 1526/4885

“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.