SCHEMBL507848

SCHEMBL507848

OCc1ccc(C=Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
CYP2D6 P10635 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
EPHX2 P34913 2/20 0.42
FAAH O00519 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
HDAC1 Q13547 2/20 0.41
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
LTA4H P09960 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL507847 1.00 PPARG (0.45) PPARGPPARACYP2D6GRIK1GRIK2
SCHEMBL963834 0.89 PPARG (0.53) PPARGPPARAEPHX2FAAHGPR84
SCHEMBL13790221 0.84 CYP2D6 (0.50) CYP2D6GRIK1GRIK2EPHX2HDAC1
SCHEMBL9060653 0.84 TSHR (0.49) PPARGPPARACYP2D6GRIK1GRIK2
SCHEMBL9060664 0.84 TSHR (0.49) PPARGPPARACYP2D6GRIK1GRIK2
SCHEMBL508667 0.83 SLC6A4 (0.49) PPARGPPARAEPHX2FAAHGPR84
SCHEMBL8027367 0.83 PPARA (0.49) PPARGPPARAEPHX2FAAHALDH1A1
SCHEMBL1747062 0.83 LTA4H (0.59) PPARGPPARAEPHX2FAAHGPR84
SCHEMBL508827 0.82 CYP2D6 (0.41) PPARGPPARACYP2D6GRIK1GRIK2
SCHEMBL508826 0.82 CYP2D6 (0.41) PPARGPPARACYP2D6GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
EP-2459571-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY Global Alliance For Tb Drug Development (US) 2012-06-06 EP disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
WO-2011014774-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 PPARG 603/4885PPARA 660/4885CYP2D6 1260/4885

“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.