SCHEMBL1229422

SCHEMBL1229422

CC(C)(C)[Si](C)(C)OCC(O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.46
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
SOS1 Q07889 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL6681523 0.88 MITF (0.40) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL4777751 0.87 PKM (0.36) MITFKMT2AALDH1A1PKML3MBTL1
SCHEMBL4777755 0.87 PKM (0.36) MITFKMT2AALDH1A1PKML3MBTL1
SCHEMBL8027600 0.79 MITF (0.56) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL12901769 0.77 MITF (0.44) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL1228655 0.75 ALDH1A1 (0.38) MITFKMT2AALDH1A1PKMSOS1
SCHEMBL2222642 0.73 PKM (0.38) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL14966143 0.73 MITF (0.42) MITFALDH1A1PKMLMNASOS1
SCHEMBL14966256 0.70 MITF (0.43) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL29350870 0.70 ALDH1A1 (0.56) MITFKMT2AALDH1A1PKMSOS1

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 11 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
EP-2459570-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES Global Alliance For Tb Drug Development (US) 2012-06-06 EP 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
EP-0866793-B1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORP (US) 2004-10-27 EP disclosed
US-6087358-A BACTERICIDES TREATING PATHOGENIC INFECTIONS OF MYCOBACTERIA, CLOSTRIDIUM, CRYPTOSPORIDIUM OR HELICOBACTER AND MULTIDRUG-RESISTANT TUBERCULOSIS PATHOGENESIS CORPORATION (US) 2000-07-11 US disclosed
EP-0866793-A4 1998-10-07 EP disclosed
EP-0866793-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1998-09-30 EP disclosed
US-5668127-A MYCOBACTERIUM TUBERCULOSIS, CLOSTRIDIUM PATHOGENESIS CORPORATION (US) 1997-09-16 US disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 WO 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 MITF 1716/4885KMT2A 1440/4885ALDH1A1 2444/4885

“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.