SCHEMBL4696071

SCHEMBL4696071

Nc1ccccc1Oc1cncc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
RCE1 Q9Y256 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TLR4 O00206 1/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
IKBKB O14920 1/20 0.43
BRAF P15056 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CRHBP P24387 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
SCHEMBL640847 0.80 GAA (0.56) GAARCE1CYP1A2CYP2C19CYP3A4
SCHEMBL5318079 0.80 KMT2A (0.43) GAAMAPTKMT2AP2RX4
SCHEMBL633342 0.77 GAA (0.64) GAARCE1CYP1A2CYP2C19CYP3A4
SCHEMBL11545406 0.77 LTA4H (0.48) GAAMAPTHTTKMT2A
SCHEMBL14465793 0.76 LMNA (0.56) GAACYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL2030996 0.76 VEGFA (0.48) GAACYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL4697665 0.76 L3MBTL1 (0.56) CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL2034696 0.75 PPARG (0.50) GAACYP3A4HTTP2RX4
SCHEMBL4697568 0.75 MKNK1 (0.50)
SCHEMBL641390 0.74 MAPT (0.63) GAARCE1CYP1A2CYP2C19CYP3A4

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 6 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

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 GAA 782/4885RCE1 2292/4885CYP1A2 1014/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD GAA 782/4885RCE1 2292/4885CYP1A2 1014/4885

“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.