SCHEMBL508640

SCHEMBL508640

FC(F)(F)Oc1ccc(-n2ccc(CBr)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2B Q13224 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
SCN5A Q14524 4/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
CYP1A2 P05177 2/20 0.33
HPGD P15428 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
SCHEMBL28946384 0.88 RXRA (0.41) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL508718 0.86 RXRA (0.44) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL12295637 0.85 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL19471078 0.85 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL22897584 0.80 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL19120213 0.76 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL8087729 0.76 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL31465996 0.76 HTT (0.47) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL19121178 0.76 MAPT (0.42) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL29266953 0.76 RXRA (0.37) RXRAGRIN1GRIN2BL3MBTL1POLB

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 3 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
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 RXRA 2473/4885GRIN1 3584/4885GRIN2B 3799/4885

“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.