SCHEMBL1229293

SCHEMBL1229293

CCOCOc1cnc(Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NFKB1 P19838 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30
DGAT1 O75907 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
SCHEMBL160948 0.82 NQO1 (0.48) NQO1KDM4ENFKB1SMN1; SMN2NPC1
SCHEMBL28404712 0.79 CHRNA3 (0.45) DGAT1
SCHEMBL23882512 0.78 KDM4E (0.33) KDM4ESMN1; SMN2
SCHEMBL8751807 0.74 NQO1 (0.63) NQO1KDM4ESMN1; SMN2NPC1TDP1
SCHEMBL1697679 0.74 SMN1; SMN2 (0.42) KDM4ENFKB1SMN1; SMN2NPC1RAB9A
SCHEMBL30005939 0.72 MAPT (0.47) NQO1L3MBTL1TDP1TSHR
SCHEMBL14968355 0.72 P2RX7 (0.37) L3MBTL1TDP1DGAT1
SCHEMBL12523295 0.72 NPC1 (0.53) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL8751920 0.72 NQO1 (0.46) NQO1KDM4ESMN1; SMN2TDP1TSHR
SCHEMBL31408221 0.71 CHRNB2 (0.43) NQO1RAB9ATDP1TSHR

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-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

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 NQO1 21/4885KDM4E 1999/4885NFKB1 1681/4885

“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.