SCHEMBL13281709

SCHEMBL13281709

CC1(C)OC[C@@H](CCn2cc([N+](=O)[O-])nc2Cl)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.36
SOS1 Q07889 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 2/20 0.31
PKM P14618 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL13281711 1.00 ALDH1A1 (0.37) ALDH1A1NPSR1KMT2ASOS1TMEM97
SCHEMBL15441700 1.00 ALDH1A1 (0.37) ALDH1A1NPSR1KMT2ASOS1TMEM97
SCHEMBL1228896 0.83 ALDH1A1 (0.40) ALDH1A1KMT2ASOS1PKMMITF
SCHEMBL1227908 0.76 ALDH1A1 (0.41) ALDH1A1KMT2ASOS1KDM4EPKM
SCHEMBL19664970 0.74 ALDH1A1 (0.43) ALDH1A1KMT2ASOS1PKMMITF
SCHEMBL58607 0.73 ALDH1A1 (0.43) ALDH1A1KMT2ASOS1PKMMITF
SCHEMBL58608 0.73 ALDH1A1 (0.43) ALDH1A1KMT2ASOS1PKMMITF
SCHEMBL59287 0.73 ALDH1A1 (0.43) ALDH1A1KMT2ASOS1PKMMITF
SCHEMBL2098175 0.72 ALDH1A1 (0.42) ALDH1A1KMT2ASOS1PKMTP53
SCHEMBL5536073 0.72 ALDH1A1 (0.42) ALDH1A1KMT2ASOS1PKMTP53

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 5 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-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
WO-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 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-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR ALDH1A1 109/4885NPSR1 1824/4885KMT2A 3220/4885

“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.