SCHEMBL7036261

SCHEMBL7036261

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.82
PPARA Q07869 3/20 0.53
TDP1 Q9NUW8 2/20 0.48
PYGL P06737 1/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNMA1 Q12791 1/20 0.45
PABPC1 P11940 1/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
JAK2 O60674 1/20 0.44
GMNN O75496 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
SCHEMBL7039776 0.91 PPARG (0.85) PPARGPPARATDP1PYGLRAB9A
SCHEMBL7039770 0.91 PPARG (0.85) PPARGPPARATDP1PYGLRAB9A
SCHEMBL7040867 0.90 PPARG (0.83) PPARGPPARATDP1PYGLRAB9A
Lithium Ion SCHEMBL7040861 0.90 PPARG (1.00) PPARGPPARATDP1PYGLRAB9A
SCHEMBL1029573 0.84 PPARG (0.57) PPARGTDP1RAB9ANPC1CYP1A2
SCHEMBL7034015 0.83 PPARG (0.57) PPARGPPARAKMT2ALMNA
SCHEMBL7035602 0.82 PPARG (0.56) PPARGPPARATDP1PYGLRAB9A
SCHEMBL7040735 0.79 PPARG (0.79) PPARGPPARARAB9ANPC1SMN1; SMN2
SCHEMBL7036241 0.78 PPARG (0.80) PPARGPPARAMAPTSMN1; SMN2JAK2
SCHEMBL1026321 0.77 HSPB1 (0.53) PPARGTDP1RAB9ANPC1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 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 (1 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-20030073862-A1 Compounds PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885TDP1 2921/4885

“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.