SCHEMBL507756

SCHEMBL507756

CC(C)[Si](OC[C@H](Cn1cc([N+](=O)[O-])nc1Br)Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
CHRM1 P11229 1/20 0.35
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PSD A5PKW4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MMP2 P08253 3/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
MMP9 P14780 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SCN5A Q14524 2/20 0.30
TXNRD1 Q16881 1/20 0.30
SCN10A Q9Y5Y9 2/20 0.30

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
SCHEMBL1228745 0.75 KCNH2 (0.45) KCNH2CHRM1PKMPTGS1SLC6A2
SCHEMBL1228145 0.74 KCNH2 (0.43) KCNH2CHRM1PKMPTGS1SLC6A2
SCHEMBL1227410 0.73 KCNH2 (0.44) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL508904 0.72 TRPV3 (0.39) MMP2MMP1MMP3MMP9SCN5A
SCHEMBL508403 0.72 SCN10A (0.38) SCN5ASCN10A
SCHEMBL1227909 0.72 CHRM1 (0.45) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL12901290 0.70 KCNH2 (0.42) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL1228029 0.68 ALDH1A1 (0.36) PKMALDH1A1
SCHEMBL1228757 0.67 CHRM1 (0.44) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL12902233 0.67 KCNH2 (0.40) KCNH2CHRM1PTGS1SLC6A2SLC6A4

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 KCNH2 3157/4885CHRM1 1375/4885PKM 2481/4885

“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.