SCHEMBL12901280

SCHEMBL12901280

CCCCOc1ccc(OCC(C)(O)CCn2cc([N+](=O)[O-])nc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PLA2G4B P0C869 1/20 0.34
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1228567 0.89 KMT2A (0.36) ALDH1A1KMT2AMITFSOS1
SCHEMBL1228711 0.87 KCNH2 (0.45) ALDH1A1KMT2ASOS1
SCHEMBL1228815 0.85 MEN1 (0.39) MAPTNPC1RAB9AKMT2ACYP19A1
SCHEMBL1228662 0.84 KMT2A (0.34) ALDH1A1KMT2AMITFSOS1
SCHEMBL12902144 0.79 MAPT (0.40) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL13279504 0.79 MAPT (0.51) MAPTALDH1A1KMT2ACYP2C19LMNA
SCHEMBL12901279 0.76 ALDH1A1 (0.43) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL29249828 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMITFSOS1
SCHEMBL22499780 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMITFSOS1
SCHEMBL22499779 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMITFSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 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 MAPT 2998/4885NPC1 2519/4885RAB9A 4121/4885

“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.