SCHEMBL7040867

SCHEMBL7040867

O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[LiH]

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.83
PPARA Q07869 4/20 0.54
PYGL P06737 4/20 0.45
PYGM P11217 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDR P35968 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AURKA O14965 1/20 0.45
PDPK1 O15530 1/20 0.45
JAK2 O60674 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45

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 0.99 PPARG (0.85) PPARGPPARAPYGLPYGMMEN1
SCHEMBL7039770 0.99 PPARG (0.85) PPARGPPARAPYGLPYGMMEN1
Lithium Ion SCHEMBL7040861 0.91 PPARG (1.00) PPARGPPARAPYGLMEN1KMT2A
SCHEMBL7036261 0.90 PPARG (0.82) PPARGPPARAPYGLMEN1KMT2A
SCHEMBL7040877 0.82 PPARG (0.61) PPARGPPARAPYGLPYGMMEN1
SCHEMBL7042055 0.81 PPARG (0.63) PPARGPPARALMNASERPINE1
SCHEMBL7252882 0.81 PPARG (0.61) PPARGPPARAPYGLPYGMMEN1
SCHEMBL7252878 0.81 PPARG (0.61) PPARGPPARAPYGLPYGMMEN1
SCHEMBL7155570 0.79 PPARG (0.84) PPARGPPARAPYGLPYGMMEN1
SCHEMBL7040749 0.78 PPARG (0.80) PPARGPPARAPYGLPYGMJAK2

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 2/4885PYGL 1470/4885

“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.