SCHEMBL1229308

SCHEMBL1229308

O=[N+]([O-])c1cn(CC(O)COc2ccc(OCc3ccccc3)cc2)c(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD4 P21917 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
AGER Q15109 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1227861 0.93 PRMT5 (0.48) RAB9ATSHRHSD17B10KMT2AGAA
SCHEMBL3465423 0.83 SMN1; SMN2 (0.38) KMT2AGAADRD4HPGDTDP1
SCHEMBL12901277 0.83 ALDH1A1 (0.43) RAB9AGAAPOLBHPGDTDP1
SCHEMBL1228745 0.82 KCNH2 (0.45) GAADRD4HPGDTDP1PKM
SCHEMBL1227909 0.78 CHRM1 (0.45) RAB9AGAAPRMT5WDR77AGER
SCHEMBL1228016 0.77 MEN1 (0.38) RAB9AKMT2AMEN1NPC1ATM
SCHEMBL19924926 0.73 SOS1 (0.51) KMT2APOLBHPGDMEN1ATM
SCHEMBL1228793 0.72 PKM (0.33) KMT2AGAAPOLBPKM
SCHEMBL1228697 0.72 ACHE (0.40) GAADRD4TDP1AGERPKM
SCHEMBL29055771 0.72 MEN1 (0.42) RAB9AKMT2AL3MBTL1MEN1NPC1

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 4 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
CN-102741259-A Nitroimidazooxazine and nitroimidazooxazole analogues and uses thereof GLOBAL ALLIANCE FOR TB DRUG DEV 2012-10-17 CN 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 RAB9A 4121/4885TSHR 1938/4885HSD17B10 4066/4885

“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.