SCHEMBL4695752

SCHEMBL4695752

NC(=O)c1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
KMT2A Q03164 3/20 0.49
PDE7A Q13946 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
CASP1 P29466 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL31258878 0.89 PPARG (0.54) PPARGKMT2APDE7AMAPTMEN1
SCHEMBL17627593 0.89 PPARG (0.54) PPARGKMT2APDE7AMAPTMEN1
SCHEMBL6564341 0.85 PPARG (0.58) PPARGKMT2AMAPTMEN1GAA
SCHEMBL4694700 0.83 PPARG (0.61) PPARGKMT2AMAPTMEN1ALDH1A1
SCHEMBL2031919 0.82 PDE7A (0.60) PPARGKMT2APDE7AMAPTMEN1
SCHEMBL4695219 0.81 PPARG (0.44) PPARGEPAS1
SCHEMBL2030201 0.80 PPARG (0.47) PPARGKMT2APDE7AMAPTMEN1
SCHEMBL4694599 0.80 PPARG (0.49) PPARGKMT2APDE7AMAPTMEN1
SCHEMBL2035696 0.80 HSPB1 (0.53) PPARGKMT2APDE7AMAPTMEN1
SCHEMBL2034854 0.79 PPARG (0.50) PPARGKMT2APDE7AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053227-B1 PPAR-GAMMA MODULATORS AMGEN INC (US) 2008-11-05 EP disclosed
US-7439242-B2 PPARγ modulators AMGEN INC. (US) 2008-10-21 US disclosed
US-6620827-B2 Peroxisome proliferator-activated receptors-gamma to control lipid metabolism ane obesity; antidiabetic, -inflammatory and -arthritic agents; non-insulin dependent diabetes; antilipemic and -cholesterol agents TULARIK INC. 2003-09-16 US disclosed
US-20030088103-A1 PPARgamma modulators TULARIK INC. (US) 2003-05-08 US disclosed
US-20010027200-A1 PPARgamma modulators TULARIK INC. 2001-10-04 US disclosed
US-6200995-B1 PYRIDYLOXYBENZENESULFONAMIDE DERIVATIVES; DIABETES, OBESITY TULARIK INC. 2001-03-13 US disclosed
EP-1053227-A1 PPAR-GAMMA MODULATORS TULARIK, INC. (US) 2000-11-22 EP disclosed
WO-1999038845-A1 PPAR-GAMMA MODULATORS TULARIK INC. (US) 1999-08-05 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 (2 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-20030088103-A1 PPARgamma modulators PPARG, PPARA, PPARD PPARG 1/4885KMT2A 3971/4885PDE7A 891/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD PPARG 1/4885KMT2A 3971/4885PDE7A 891/4885

“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.