SCHEMBL508197

SCHEMBL508197

FC(F)(F)Oc1ccc(Cc2ccc(CBr)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.49
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MPO P05164 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DAO P14920 1/20 0.40
EPHX2 P34913 2/20 0.39
MAPT P10636 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GRIN2B Q13224 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A3 Q01959 1/20 0.38
MBOAT4 Q96T53 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL104233 0.94 ALDH1A1 (0.47) SLC6A4ALDH1A1TSHRDAOEPHX2
SCHEMBL2092054 0.89 SLC6A4 (0.56) SLC6A4ALDH1A1TSHRMPOCYP11B1
SCHEMBL20636723 0.88 EPHX2 (0.44) SLC6A4ALDH1A1TSHRDAOEPHX2
SCHEMBL10078425 0.88 KIF11 (0.45) SLC6A4ALDH1A1TSHR
SCHEMBL22621116 0.83 SLC6A4 (0.51) SLC6A4ALDH1A1TSHRMPOCYP11B1
SCHEMBL508827 0.83 CYP2D6 (0.41) SLC6A4ALDH1A1TSHRDAOBCHE
SCHEMBL508826 0.83 CYP2D6 (0.41) SLC6A4ALDH1A1TSHRDAOBCHE
SCHEMBL16770891 0.82 SLC6A4 (0.58) SLC6A4ALDH1A1TSHRCYP11B1CYP11B2
SCHEMBL7929139 0.82 SLC6A4 (0.50) SLC6A4ALDH1A1TSHRMPOCYP11B1
SCHEMBL7938063 0.80 ESR1 (0.56) SLC6A4ALDH1A1TSHRCYP11B1CYP11B2

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 7 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
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-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 SLC6A4 3764/4885ALDH1A1 1870/4885TSHR 1851/4885

“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.