SCHEMBL508577

SCHEMBL508577

Fc1cc(-c2ccc(CBr)cc2)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.42
EPHX2 P34913 1/20 0.42
CTSK P43235 1/20 0.42
NAAA Q02083 1/20 0.42
KIF11 P52732 3/20 0.41
PDE2A O00408 1/20 0.39
FAAH O00519 1/20 0.37
SLC7A5 Q01650 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ABL1 P00519 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
GRM2 Q14416 2/20 0.34
CACNA1H O95180 2/20 0.34
P2RX7 Q99572 2/20 0.34

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
SCHEMBL4533966 0.86 EPHX2 (0.46) EPHX2PDE2ASLC7A5HCRTR1HCRTR2
SCHEMBL9060560 0.84 CYP17A1 (0.46) CYP17A1EPHX2CTSKNAAAKIF11
SCHEMBL12199925 0.84 CYP17A1 (0.46) CYP17A1EPHX2CTSKNAAAKIF11
SCHEMBL7782198 0.83 EPHX2 (0.46) CYP17A1EPHX2CTSKNAAAKIF11
SCHEMBL9062079 0.81 CYP17A1 (0.43) CYP17A1EPHX2CTSKNAAAKIF11
SCHEMBL10078774 0.81 CYP17A1 (0.47) CYP17A1EPHX2CTSKNAAAKIF11
SCHEMBL9061797 0.79 RARB (0.49) CYP17A1EPHX2CTSKNAAAKIF11
SCHEMBL15545618 0.78 KIF11 (0.56) EPHX2CTSKNAAAKIF11PDE2A
SCHEMBL12889521 0.78 PDE2A (0.45) CYP17A1EPHX2CTSKNAAAKIF11
SCHEMBL508418 0.78 NAAA (0.39) EPHX2CTSKNAAAPDE2AFAAH

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 CYP17A1 3289/4885EPHX2 2277/4885CTSK 2670/4885

“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.