SCHEMBL1228896

SCHEMBL1228896

O=[N+]([O-])c1cn(CCC2CO2)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SOS1 Q07889 1/20 0.36
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.33
PKM P14618 2/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5536073 0.86 ALDH1A1 (0.42) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL2098175 0.86 ALDH1A1 (0.42) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL13281711 0.83 ALDH1A1 (0.37) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL15441700 0.83 ALDH1A1 (0.37) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL13281709 0.83 ALDH1A1 (0.37) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL28582745 0.74 ALDH1A1 (0.47) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL1227908 0.73 ALDH1A1 (0.41) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL1228686 0.72 ALDH1A1 (0.43) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL28915327 0.72 ALDH1A1 (0.46) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL31262919 0.71 ALDH1A1 (0.42) ALDH1A1SOS1KMT2AMITFPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US disclosed
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
EP-2697232-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B][1, 3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-19 EP disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 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-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 WO 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
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 (2 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-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR ALDH1A1 109/4885SOS1 2640/4885KMT2A 3220/4885
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 ALDH1A1 2444/4885SOS1 3760/4885KMT2A 1440/4885

“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.