SCHEMBL4693343

SCHEMBL4693343

O=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 7/20 0.65
LMNA P02545 4/20 0.65
HTT P42858 2/20 0.65
HPGD P15428 4/20 0.63
POLB P06746 3/20 0.63
MAPT P10636 2/20 0.63
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NFKB1 P19838 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
NFKB2 Q00653 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
RELA Q04206 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.54
CRHBP P24387 1/20 0.51

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
SCHEMBL6944295 0.80 MEN1 (0.58) SMN1; SMN2ALDH1A1HPGDMAPTKMT2A
SCHEMBL13398449 0.79 ALDH1A1 (0.95) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL6942110 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL30639163 0.78 HPGD (1.00) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL5906595 0.77 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAHTTPOLB
SCHEMBL7572264 0.77 MEN1 (0.48) SMN1; SMN2ALDH1A1LMNAHPGDPOLB
SCHEMBL4698482 0.76 PPARG (0.55) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL6946378 0.76 MEN1 (0.52) SMN1; SMN2ALDH1A1HTTHPGDMAPT
SCHEMBL15574696 0.76 KMT2A (0.53) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL6942084 0.76 MMP13 (0.57) SMN1; SMN2ALDH1A1POLBMAPTKMT2A

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 SMN1; SMN2 3973/4885ALDH1A1 1959/4885LMNA 2066/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD SMN1; SMN2 3973/4885ALDH1A1 1959/4885LMNA 2066/4885

“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.