SCHEMBL7101367

SCHEMBL7101367

O=[N+]([O-])c1ccc(C2OCC(Br)([N+](=O)[O-])CO2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 2/20 0.56
KCNA1 Q09470 2/20 0.56
KCNAB1 Q14722 2/20 0.56
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CASP6 P55212 1/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MITF O75030 2/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
XBP1 P17861 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL11781977 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11779505 0.76 CASP6 (0.42) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11780419 0.76 CASP6 (0.42) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11780004 0.75 ALDH1A1 (0.45) KCNA4KCNA1KCNAB1ALDH1A1KMT2A
SCHEMBL11778570 0.72 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11777450 0.70 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11776524 0.70 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11775301 0.69 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11775267 0.68 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11779927 0.68 CASP6 (0.47) ALDH1A1KMT2AMEN1CASP6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040540-A1 For use as biocides for protecting plants and industrial materials BAYER AKTIENGESELLSCHAFT (DE) 2003-02-27 US disclosed
WO-2003005823-A2 BROMONITROTHIENYLDIOXANS BAYER AKTIENGESELLSCHAFT (DE) 2003-01-23 WO 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-20030040540-A1 For use as biocides for protecting plants and industrial materials BROX, GPX1, PRDX3 KCNA4 3466/4885KCNA1 1665/4885KCNAB1 2081/4885

“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.