SCHEMBL1228587

SCHEMBL1228587

O=[N+]([O-])c1cn2c(n1)OC(COCc1ccc(OCc3ccccc3)cc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
KCNH2 Q12809 4/20 0.40
WDR5 P61964 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CYP19A1 P11511 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 2/20 0.36
GRM2 Q14416 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1227806 0.93 CHRM1 (0.42) CHRM1KCNH2WDR5NPC1RAB9A
SCHEMBL1227882 0.91 CHRM1 (0.47) CHRM1KCNH2WDR5NPC1RAB9A
SCHEMBL16319782 0.85 CHRM1 (0.41) CHRM1KCNH2LMNA
SCHEMBL1228519 0.85 CHRM1 (0.59) CHRM1KCNH2GRM2
SCHEMBL13280996 0.85 NPC1 (0.43) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL1228646 0.84 CHRM1 (0.47) CHRM1KCNH2WDR5NPC1RAB9A
SCHEMBL1227270 0.83 CHRM1 (0.56) CHRM1KCNH2GRM2MAPT
SCHEMBL16319648 0.82 CHRM1 (0.35) CHRM1KCNH2MEN1KMT2ALMNA
SCHEMBL1227363 0.80 CHRM1 (0.47) CHRM1KCNH2CYP19A1
SCHEMBL15442757 0.80 PTGS1 (0.40) CHRM1KCNH2GRM2MAPT

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-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP claimed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US claimed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 US claimed
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
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
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-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
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 CHRM1 1308/4885KCNH2 2847/4885WDR5 1505/4885

“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.