SCHEMBL4694752

SCHEMBL4694752

O=[N+]([O-])c1ccc(Oc2cncc(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.51
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PPARG P37231 2/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
PDE7A Q13946 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SRD5A2 P31213 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2084079 0.84 LMNA (0.54) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL2031919 0.82 PDE7A (0.60) MEN1KMT2AALDH1A1PPARGLMNA
SCHEMBL31448113 0.82 HSPB1 (0.59) HSPB1HTTMEN1KMT2AALDH1A1
SCHEMBL2033404 0.81 TSHR (0.50) HTTALDH1A1PPARGLMNAMAPK1
SCHEMBL4694599 0.80 PPARG (0.49) HSPB1MEN1KMT2AALDH1A1PPARG
SCHEMBL2030201 0.80 PPARG (0.47) HSPB1HTTMEN1KMT2AALDH1A1
SCHEMBL2035696 0.80 HSPB1 (0.53) HSPB1MEN1KMT2AALDH1A1PPARG
SCHEMBL12585122 0.80 PPARG (0.47) HTTMEN1KMT2AALDH1A1PPARG
SCHEMBL7173350 0.79 HSPB1 (0.66) HSPB1HTTMEN1KMT2AALDH1A1
SCHEMBL2034854 0.79 PPARG (0.50) HTTMEN1KMT2APPARGLMNA

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 HSPB1 579/4885HTT 3507/4885MEN1 4878/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD HSPB1 579/4885HTT 3507/4885MEN1 4878/4885

“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.