SCHEMBL7035602

SCHEMBL7035602

COC(=O)c1cc(Oc2cccc([N+](=O)[O-])n2)ccc1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.56
PPARA Q07869 4/20 0.53
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.41
PYGL P06737 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
Lithium Ion SCHEMBL7040874 0.90 PPARG (0.69) PPARGPPARANPC1CYP1A2CYP3A4
SCHEMBL7040877 0.90 PPARG (0.61) PPARGPPARANPC1CYP1A2CYP3A4
SCHEMBL7036261 0.82 PPARG (0.82) PPARGPPARATDP1NPC1CYP1A2
SCHEMBL7040735 0.79 PPARG (0.79) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL7036241 0.78 PPARG (0.80) PPARGPPARAMAPTLMNAHTT
SCHEMBL7034015 0.74 PPARG (0.57) PPARGPPARALMNAKMT2A
SCHEMBL7039770 0.73 PPARG (0.85) PPARGPPARATDP1NPC1CYP1A2
SCHEMBL7039776 0.73 PPARG (0.85) PPARGPPARATDP1NPC1CYP1A2
SCHEMBL7039680 0.72 PPARG (0.59) PPARGPPARANPC1RAB9AMAPT
SCHEMBL7034530 0.72 PPARG (0.56) PPARGPPARAMAPTNPSR1

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.