SCHEMBL1228655

SCHEMBL1228655

CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)Cn1cc([N+](=O)[O-])nc1Br

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MITF O75030 1/20 0.34
PKM P14618 2/20 0.33
SOS1 Q07889 1/20 0.33
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16319550 0.89 KCNH2 (0.32) ALDH1A1PKMPOLB
SCHEMBL1227414 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1227410 0.87 KCNH2 (0.44) ALDH1A1SOS1
SCHEMBL12901284 0.82 ALDH1A1 (0.43) ALDH1A1MITFPKMSOS1POLB
SCHEMBL57250 0.78
SCHEMBL1229422 0.75 MITF (0.46) ALDH1A1MITFPKMSOS1POLB
SCHEMBL1228719 0.75 ALDH1A1 (0.43) ALDH1A1MITFPKMSOS1POLB
SCHEMBL31437774 0.75 ALDH1A1 (0.49) ALDH1A1MITFPKMSOS1POLB
SCHEMBL4777751 0.74 PKM (0.36) ALDH1A1MITFPKMSOS1POLB
SCHEMBL4777755 0.74 PKM (0.36) ALDH1A1MITFPKMSOS1POLB

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 3 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
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 2444/4885MITF 1716/4885PKM 1709/4885

“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.