SCHEMBL12901279

SCHEMBL12901279

CCCCOc1ccc(OCC(O)Cn2cc([N+](=O)[O-])nc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PLA2G4B P0C869 2/20 0.42
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
HTT P42858 2/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL16364413 0.88 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL12901277 0.87 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL1228697 0.87 ACHE (0.40) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL5316860 0.84 ALDH1A1 (0.41) ALDH1A1HTTPKMKMT2A
SCHEMBL5540389 0.77 ALDH1A1 (0.38) ALDH1A1PKMKMT2A
SCHEMBL28531344 0.76 CHRM1 (0.47) ALDH1A1GAAPKMKMT2A
SCHEMBL28523272 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAPKMKMT2A
SCHEMBL28523274 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAPKMKMT2A
SCHEMBL5539609 0.76 CHRM1 (0.47) ALDH1A1GAAPKMKMT2A
SCHEMBL12901280 0.76 MAPT (0.38) ALDH1A1NPC1RAB9APLA2G4BMAPT

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 ALDH1A1 2444/4885NPC1 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.