SCHEMBL508418

SCHEMBL508418

Fc1cc(-c2ccc(CBr)nc2)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
ABL1 P00519 1/20 0.36
PDE2A O00408 1/20 0.35
CHRM5 P08912 1/20 0.35
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
GRM2 Q14416 3/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL27892092 0.89 NAAA (0.38) NAAACTSKCYP1A2CYP3A4CYP2C19
SCHEMBL509200 0.86 PIK3CA (0.41) NAAACTSKCYP1A2CYP3A4CYP2C19
SCHEMBL508577 0.78 CYP17A1 (0.42) NAAACTSKFAAHEPHX2ABL1
SCHEMBL27892094 0.76 NAAA (0.41) NAAACTSKFAAHEPHX2PDGFRB
Hydrochloric Acid SCHEMBL14333630 0.74 PDGFRB (0.39) NAAACTSKFAAHEPHX2PDGFRB
SCHEMBL7782198 0.74 EPHX2 (0.46) NAAACTSKFAAHEPHX2ALOX5AP
SCHEMBL9937888 0.73 CCR1 (0.42)
SCHEMBL5544483 0.72 PDE2A (0.40) NAAACTSKFAAHEPHX2PDGFRB
SCHEMBL16841022 0.72 NAAA (0.44) NAAACTSKFAAHEPHX2ALOX5AP
SCHEMBL4533966 0.71 EPHX2 (0.46) EPHX2PDE2A

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 NAAA 703/4885CTSK 2670/4885CYP1A2 783/4885

“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.