SCHEMBL426860

SCHEMBL426860

C=CCOc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
KDM4E B2RXH2 6/20 0.59
KMT2A Q03164 2/20 0.59
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.46
S1PR4 O95977 1/20 0.46
MAPT P10636 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
SCHEMBL5640740 0.88 CYP1A2 (0.60) ALDH1A1KDM4ECYP3A4TSHRNPC1
SCHEMBL10960717 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ACYP3A4TSHR
SCHEMBL5668088 0.83 GPR35 (0.45) ALDH1A1KDM4EKMT2ATSHRNPC1
SCHEMBL1341858 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2ACYP3A4TSHR
SCHEMBL3957985 0.82 FLT3 (0.50) ALDH1A1KDM4EKMT2ANPC1LMNA
SCHEMBL10619771 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2ACYP3A4TSHR
SCHEMBL28338065 0.82 CYP3A4 (0.40) ALDH1A1KDM4EKMT2ACYP3A4TSHR
SCHEMBL18181653 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ATSHRNPC1
SCHEMBL3884042 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ANPC1L3MBTL1
SCHEMBL5068190 0.81 MAPT (0.58) ALDH1A1KDM4EKMT2ACYP3A4TSHR

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 28 patents — showing the first 20. 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US 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-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 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
EP-1324981-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-07-09 EP disclosed
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6521663-B2 For oral administration or embedded or otherwise attached to medical devices for blood collection and/or treatment 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS 2002-05-23 US disclosed
WO-2002028825-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed
US-4587259-A Miticidal 2-(2-methyl-2,3-dihydro-benzofuran-7-yl)hydrazinecarboxylic acid esters SHELL OIL COMPANY (US) 1986-05-06 US disclosed
US-4550121-A AGRICULTURE SHELL OIL COMPANY (US) 1985-10-29 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 (6 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE ALDH1A1 257/4885KDM4E 3168/4885KMT2A 894/4885
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885KMT2A 1526/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT ALDH1A1 3201/4885KDM4E 1651/4885KMT2A 1347/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885KMT2A 1526/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT ALDH1A1 2765/4885KDM4E 1822/4885KMT2A 1131/4885
US-20040122235-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.