SCHEMBL1228676

SCHEMBL1228676

CC1(COc2ccc(Br)cn2)CCn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.62
PTGS1 P23219 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.31
TSHR P16473 1/20 0.31
CHRM1 P11229 1/20 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
SCHEMBL1229263 0.90 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227220 0.85 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227072 0.83 KCNH2 (0.63) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1228688 0.83 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1228629 0.82 KCNH2 (0.79) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1228570 0.82 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1229589 0.82 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16364417 0.80 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1229419 0.79 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227841 0.77 KCNH2 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.