SCHEMBL4514752

SCHEMBL4514752

O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
THRB P10828 1/20 0.72
PPARG P37231 7/20 0.65
PTGS2 P35354 2/20 0.64
AGPAT2 O15120 4/20 0.61
TP53 P04637 1/20 0.60
CYP2C8 P10632 1/20 0.59
SLC2A1 P11166 1/20 0.57

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
SCHEMBL4513731 0.94 MAPT (0.76) MAPTTHRBPPARGPTGS2AGPAT2
SCHEMBL27188334 0.85 PPARG (0.76) MAPTTHRBPPARGPTGS2TP53
SCHEMBL4521584 0.85 MAPT (0.65) MAPTTHRBPPARGAGPAT2TP53
SCHEMBL4514083 0.83 MAPT (0.73) MAPTTHRBAGPAT2TP53
SCHEMBL4505279 0.83 MAPT (0.58) MAPTTHRBPPARGAGPAT2
SCHEMBL27188689 0.83 PPARG (0.79) MAPTTHRBPPARGPTGS2TP53
SCHEMBL27188327 0.83 PPARG (0.73) MAPTTHRBPPARGPTGS2CYP2C8
SCHEMBL27188332 0.82 PPARG (0.85) MAPTTHRBPPARGPTGS2TP53
SCHEMBL31451577 0.82 MAPT (0.70) MAPTTHRBPPARGPTGS2TP53
SCHEMBL27188338 0.81 PPARG (0.82) MAPTTHRBPPARGPTGS2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US 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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 MAPT 270/4885THRB 2687/4885PPARG 280/4885

“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.