SCHEMBL12901769

SCHEMBL12901769

CC(C)(CCC(O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-])[Si](C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.44
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.33
SOS1 Q07889 1/20 0.32
CHRM1 P11229 1/20 0.30

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
SCHEMBL8027600 0.79 MITF (0.56) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL1229422 0.77 MITF (0.46) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL14971049 0.74 MITF (0.41) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL14971120 0.70 MITF (0.38) MITFALDH1A1LMNA
SCHEMBL14971139 0.69 LMNA (0.38) MITFALDH1A1PKMLMNA
SCHEMBL3303223 0.68 MITF (0.55) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL6681523 0.68 MITF (0.40) MITFKMT2AALDH1A1PKMLMNA
SCHEMBL14971069 0.68 MITF (0.42) MITFALDH1A1LMNA
SCHEMBL14971116 0.67 MITF (0.41) MITFLMNA
SCHEMBL65057 0.65 ALDH1A1 (0.65) MITFKMT2AALDH1A1PKMLMNA

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 MITF 1716/4885KMT2A 1440/4885ALDH1A1 2444/4885

“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.