SCHEMBL1228537

SCHEMBL1228537

O=[N+]([O-])c1cn(CCC(O)CO)c(Br)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.37
MITF O75030 1/20 0.36
SOS1 Q07889 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
GLA P06280 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
SCHEMBL15442198 0.83 ALDH1A1 (0.40) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL13281114 0.83 ALDH1A1 (0.40) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL13280994 0.83 ALDH1A1 (0.40) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL1228029 0.80 ALDH1A1 (0.36) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL1228719 0.78 ALDH1A1 (0.43) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL30576258 0.75 ALDH1A1 (0.46) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL28574994 0.75 ALDH1A1 (0.49) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL28570815 0.74 ALDH1A1 (0.47) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL1227172 0.73 ALDH1A1 (0.44) ALDH1A1PKMMITFSOS1KMT2A
SCHEMBL1227163 0.73 ALDH1A1 (0.41) ALDH1A1PKMMITFSOS1KMT2A

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
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
CN-102741259-A Nitroimidazooxazine and nitroimidazooxazole analogues and uses thereof GLOBAL ALLIANCE FOR TB DRUG DEV 2012-10-17 CN 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 2444/4885PKM 1709/4885MITF 1716/4885

“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.