SCHEMBL1228697

SCHEMBL1228697

O=[N+]([O-])c1cn(CC(O)COc2ccc(I)cc2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AGER Q15109 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
DRD4 P21917 1/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL12901279 0.87 ALDH1A1 (0.43) ACHEMAPTLMNAGAAHTT
SCHEMBL5316860 0.81 ALDH1A1 (0.41) HTTALDH1A1PKMCYP3A4CYP2D6
SCHEMBL5539609 0.78 CHRM1 (0.47) GAAALDH1A1PKM
SCHEMBL28531344 0.78 CHRM1 (0.47) GAAALDH1A1PKM
SCHEMBL28523272 0.78 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL28523274 0.78 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL5540389 0.77 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL1227126 0.75 KCNH2 (0.43) ACHELMNAGAAALDH1A1TDP1
SCHEMBL4777751 0.75 PKM (0.36) ACHEMAPTHTTALDH1A1PKM
SCHEMBL27610397 0.75 MITF (0.40) ALDH1A1PKM

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 ACHE 1422/4885MAPT 2998/4885LMNA 1996/4885

“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.