SCHEMBL1228567

SCHEMBL1228567

CC(O)(CCn1cc([N+](=O)[O-])nc1Cl)COc1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.34
SOS1 Q07889 1/20 0.34
MITF O75030 1/20 0.33
PKM P14618 2/20 0.33
KCNH2 Q12809 4/20 0.32
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12901280 0.89 MAPT (0.38) KMT2AALDH1A1SOS1MITF
SCHEMBL1228711 0.88 KCNH2 (0.45) KMT2AALDH1A1SOS1KCNH2
SCHEMBL1228815 0.86 MEN1 (0.39) KMT2A
SCHEMBL1228662 0.85 KMT2A (0.34) KMT2AALDH1A1SOS1MITFPKM
SCHEMBL13279504 0.80 MAPT (0.51) KMT2AALDH1A1
SCHEMBL1228592 0.79 ALDH1A1 (0.35) KMT2AALDH1A1SOS1MITFPKM
SCHEMBL13281397 0.75 PTGS1 (0.45) KCNH2
SCHEMBL13281672 0.75 PTGS1 (0.44) KCNH2
SCHEMBL1228697 0.74 ACHE (0.40) ALDH1A1PKM
SCHEMBL5536388 0.70 ALDH1A1 (0.43) KMT2AALDH1A1SOS1MITFPKM

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 KMT2A 1440/4885ALDH1A1 2444/4885SOS1 3760/4885

“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.