SCHEMBL1228016

SCHEMBL1228016

CC(O)(COCc1ccc(OCc2ccccc2)cc1)Cn1cc([N+](=O)[O-])nc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
AR P10275 1/20 0.36
MAOB P27338 3/20 0.36
PLA2G4B P0C869 1/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL1228757 0.87 CHRM1 (0.44) CYP19A1
SCHEMBL1227861 0.81 PRMT5 (0.48) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1228592 0.79 ALDH1A1 (0.35) KMT2AARPKM
SCHEMBL12902144 0.78 MAPT (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1229308 0.77 RAB9A (0.49) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1228815 0.74 MEN1 (0.39) MEN1KMT2ANPC1RAB9AATM
SCHEMBL18822865 0.73 ALDH1A1 (0.43) KMT2APKM
SCHEMBL18822862 0.71 ADRB2 (0.42) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1226997 0.70 SOS1 (0.40) KMT2ANPC1RAB9AMAPTAR
SCHEMBL19924926 0.69 SOS1 (0.51) MEN1KMT2AATMCYP19A1MAPT

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
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-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 MEN1 3517/4885KMT2A 1440/4885NPC1 2519/4885

“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.