SCHEMBL4694599

SCHEMBL4694599

Cc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.49
PDE7A Q13946 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HSPB1 P04792 1/20 0.40
S1PR4 O95977 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2031919 0.86 PDE7A (0.60) PPARGPDE7AALDH1A1CYP3A4MEN1
SCHEMBL2034854 0.86 PPARG (0.50) PPARGPDE7ATDP1CYP3A4MEN1
SCHEMBL2030201 0.84 PPARG (0.47) PPARGPDE7AALDH1A1TDP1MEN1
SCHEMBL30315053 0.84 HSPB1 (0.49) PDE7AALDH1A1TDP1TSHRCYP3A4
SCHEMBL2035696 0.84 HSPB1 (0.53) PPARGPDE7AALDH1A1MEN1KMT2A
SCHEMBL25176610 0.84 HSPB1 (0.49) PDE7AALDH1A1TDP1TSHRCYP3A4
SCHEMBL29151304 0.83 ALDH1A1 (0.49) PDE7AALDH1A1TDP1TSHRCYP3A4
SCHEMBL28325585 0.82 PDE7A (0.57) PDE7AALDH1A1TDP1TSHRCYP3A4
SCHEMBL31104539 0.81 PDE7A (0.47) PDE7AALDH1A1TDP1TSHRCYP3A4
SCHEMBL2031800 0.81 PPARG (0.52) PPARGPDE7AALDH1A1CYP3A4MAPT

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 1/4885PDE7A 891/4885ALDH1A1 1959/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD PPARG 1/4885PDE7A 891/4885ALDH1A1 1959/4885

“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.