SCHEMBL1228686

SCHEMBL1228686

C=CCCn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SOS1 Q07889 1/20 0.39
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.35
PKM P14618 2/20 0.35
POLB P06746 1/20 0.34
ADORA2A P29274 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE4A P27815 1/20 0.31
ADORA2B P29275 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL1227157 0.82 ALDH1A1 (0.43) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL28582745 0.77 ALDH1A1 (0.47) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL1228022 0.77 ALDH1A1 (0.44) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL28915327 0.76 ALDH1A1 (0.46) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL28573737 0.75 ALDH1A1 (0.45) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL28568447 0.75 ALDH1A1 (0.45) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL15686490 0.74 ALDH1A1 (0.48) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL28756702 0.73 ALDH1A1 (0.43) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL15442198 0.72 ALDH1A1 (0.40) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL13281114 0.72 ALDH1A1 (0.40) ALDH1A1SOS1KMT2AMITFPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741259-B Nitroimidazooxazine and nitroimidazooxazole analogues and uses thereof GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2016-04-13 CN disclosed
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 2444/4885SOS1 3760/4885KMT2A 1440/4885

“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.