SCHEMBL3285269

SCHEMBL3285269

O=[N+]([O-])c1cnc(Br)c(Br)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.41
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSB P07858 1/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CYP2C9 P11712 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 2/20 0.36
SNCA P37840 1/20 0.36
TTR P02766 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL25334906 0.81 GPR35 (0.44) GPR35ERN1ALDH1A1KDM4EMEN1
SCHEMBL20551845 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL27094393 0.75 MAPT (0.40) GPR35ERN1ALDH1A1KDM4EMEN1
SCHEMBL30998006 0.75 MAPT (0.40) GPR35ERN1ALDH1A1KDM4EMEN1
SCHEMBL7010585 0.73 HSP90AA1 (0.42) GPR35ERN1ALDH1A1KDM4EMEN1
SCHEMBL9328126 0.73 GPR35 (0.57) GPR35ERN1ALDH1A1KDM4EMEN1
SCHEMBL31373261 0.71 ALDH1A1 (0.45) GPR35ALDH1A1KDM4EMEN1MAPT
SCHEMBL21050866 0.71 CYP1A2 (0.38) GPR35ERN1ALDH1A1KDM4EMEN1
SCHEMBL690072 0.71 GPR35 (0.42) GPR35ERN1ALDH1A1KDM4EMEN1
SCHEMBL30774912 0.71 GPR35 (0.42) GPR35ERN1ALDH1A1KDM4EMEN1

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
US-7709496-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20090054418-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-2007377-A2 ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
WO-2007118130-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-18 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-20090054418-A1 Antibacterial Agents MRPL21, ELANE, SPOUT1 GPR35 4459/4885ERN1 1364/4885ALDH1A1 1958/4885

“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.