SCHEMBL633458

SCHEMBL633458

O=[N+]([O-])c1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 3/20 0.53
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PIN1 Q13526 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL1994213 0.92 PPARG (0.52) PPARGALDH1A1CYP3A4RAB9ALMNA
SCHEMBL1997355 0.85 KMT2A (0.56) PPARGALDH1A1CYP3A4RAB9ALMNA
SCHEMBL3802331 0.85 ALDH1A1 (0.62) PPARGALDH1A1CYP3A4RAB9ALMNA
SCHEMBL2000056 0.84 MAPT (0.45) PPARGALDH1A1CYP3A4RAB9ALMNA
SCHEMBL29612551 0.84 PPARG (0.53) PPARGALDH1A1CYP3A4RAB9ALMNA
SCHEMBL28730677 0.84 PPARG (0.53) PPARGALDH1A1CYP3A4RAB9ALMNA
SCHEMBL2001900 0.81 CHEK2 (0.43) PPARGCYP3A4HTTPIN1MEN1
SCHEMBL11291316 0.81 PIN1 (0.51) PPARGALDH1A1LMNAHTTPIN1
SCHEMBL22515313 0.81 PPARG (0.62) PPARGALDH1A1CYP3A4HTT
SCHEMBL633564 0.80 PPARG (0.58) PPARGCYP3A4

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245024-A1 Combination of PPARy Agonist and a Dipeptidyl Peptidase-Inhibitor for the Treatment of Diabetes and Obesity LANFEAR DENNIS (US) 2013-09-19 US disclosed
US-20130245024-A1 Combination of PPARy Agonist and a Dipeptidyl Peptidase-Inhibitor for the Treatment of Diabetes and Obesity LANFEAR DENNIS (US) 2013-09-19 US disclosed
EP-1677797-B1 SALTS AND POLYMORPHS OF A POTENT ANTIDIABETIC COMPOUND AMGEN INC (US) 2012-02-22 EP disclosed
EP-1677797-B1 SALTS AND POLYMORPHS OF A POTENT ANTIDIABETIC COMPOUND AMGEN INC (US) 2012-02-22 EP disclosed
US-8003665-B2 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. (US) 2011-08-23 US disclosed
US-8003665-B2 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. (US) 2011-08-23 US disclosed
US-8003665-B2 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. (US) 2011-08-23 US disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
EP-1677797-A4 SALTS AND POLYMORPHS OF A POTENT ANTIDIABETIC COMPOUND AMGEN INC (US) 2009-03-25 EP disclosed
US-20070293536-A1 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. 2007-12-20 US disclosed
US-20070293536-A1 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. 2007-12-20 US disclosed
US-20070293536-A1 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. 2007-12-20 US disclosed
US-7223761-B2 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. (US) 2007-05-29 US disclosed
US-7223761-B2 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. (US) 2007-05-29 US disclosed
US-7223761-B2 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. (US) 2007-05-29 US disclosed
EP-1677797-A2 SALTS AND POLYMORPHS OF A POTENT ANTIDIABETIC COMPOUND Amgen Inc. (US) 2006-07-12 EP disclosed
US-20050143416-A1 Salts and polymorphs of a potent antidiabetic compound AMGEN INC. 2005-06-30 US disclosed
WO-2005033074-A2 SALTS AND POLYMORPHS OF A POTENT ANTIDIABETIC COMPOUND AMGEN, INC. (US) 2005-04-14 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 (3 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-20070293536-A1 Salts and polymorphs of a potent antidiabetic compound PPARD, PPARA, PPARG PPARG 3/4885ALDH1A1 1212/4885CYP3A4 539/4885
US-20050143416-A1 Salts and polymorphs of a potent antidiabetic compound PPARD, PPARA, PPARG PPARG 3/4885ALDH1A1 1212/4885CYP3A4 539/4885
US-20130245024-A1 Combination of PPARy Agonist and a Dipeptidyl Peptidase-Inhibitor for the Treatment of Diabetes and Obesity DPP4, DPP3, DPP7 PPARG 8/4885ALDH1A1 1239/4885CYP3A4 165/4885

“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.