SCHEMBL2084079

SCHEMBL2084079

O=[N+]([O-])c1cccc(Oc2cncc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43
TERT O14746 1/20 0.43
PSD A5PKW4 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 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
SCHEMBL4703044 0.85 ALDH1A1 (0.70) LMNAALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL4694752 0.84 HSPB1 (0.51) LMNAHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL177875 0.83 MEN1 (0.56) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL4203388 0.81 TSHR (0.67) LMNAHTTALDH1A1TDP1TSHR
SCHEMBL30098501 0.81 LMNA (0.80) LMNAHTTALDH1A1TDP1SMN1; SMN2
SCHEMBL177519 0.81 LMNA (0.80) LMNAHTTALDH1A1TDP1SMN1; SMN2
SCHEMBL9645513 0.80 ALDH1A1 (0.58) LMNAALDH1A1TDP1TSHRMEN1
SCHEMBL6273333 0.79 TSHR (0.64) LMNAHTTALDH1A1TDP1TSHR
SCHEMBL30043252 0.79 TSHR (0.64) LMNAHTTALDH1A1TDP1TSHR
SCHEMBL2031919 0.79 PDE7A (0.60) LMNAALDH1A1SMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 LMNA 2066/4885HTT 3507/4885ALDH1A1 1959/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD LMNA 2066/4885HTT 3507/4885ALDH1A1 1959/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK LMNA 4717/4885HTT 4056/4885ALDH1A1 1036/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 LMNA 4046/4885HTT 3791/4885ALDH1A1 1274/4885

“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.