SCHEMBL1227765

SCHEMBL1227765

CC1(COc2ccc(OCc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.71
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
CHRM1 P11229 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
AR P10275 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL1227086 0.93 KCNH2 (0.62) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801468 0.92 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801467 0.92 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227425 0.90 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801644 0.86 KCNH2 (0.80) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801215 0.86 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801643 0.86 KCNH2 (0.80) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3195951 0.86 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227152 0.86 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL12920573 0.85 KCNH2 (0.75) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 US claimed
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
WO-2011014776-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 US disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 US disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 KCNH2 2847/4885PTGS1 2481/4885SLC6A2 2757/4885

“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.