SCHEMBL509200

SCHEMBL509200

OCc1ccc(-c2ccc(OC(F)(F)F)c(F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.40
GRM2 Q14416 2/20 0.40
NAAA Q02083 4/20 0.39
CTSK P43235 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
S1PR1 P21453 1/20 0.39
ABL1 P00519 4/20 0.39
PDE2A O00408 2/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL508418 0.86 NAAA (0.39) FAAHEPHX2GRM2NAAACTSK
SCHEMBL27892092 0.84 NAAA (0.38) FAAHEPHX2GRM2NAAACTSK
SCHEMBL4417280 0.78 ABL1 (0.49) PIK3CAPI4KAPI4KBKCNH2ABL1
SCHEMBL24784615 0.74 GRM5 (0.46) PIK3CAPI4KAPI4KBNAAACTSK
Hydrochloric Acid SCHEMBL14333630 0.74 PDGFRB (0.39) FAAHEPHX2GRM2NAAACTSK
SCHEMBL21434149 0.74 GRM2 (0.42) FAAHEPHX2GRM2CTSKPDE2A
SCHEMBL27892094 0.73 NAAA (0.41) FAAHEPHX2GRM2NAAACTSK
SCHEMBL5544483 0.72 PDE2A (0.40) FAAHEPHX2GRM2NAAACTSK
SCHEMBL15545618 0.72 KIF11 (0.56) FAAHEPHX2NAAACTSKABL1
SCHEMBL16841022 0.72 NAAA (0.44) FAAHEPHX2NAAACTSKPDE2A

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 PIK3CA 4473/4885PI4KA 2882/4885PI4KB 3586/4885

“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.