SCHEMBL3285272

SCHEMBL3285272

O=[N+]([O-])c1ncc(Br)c(Br)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GPR35 Q9HC97 2/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ERN1 O75460 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
ATM Q13315 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL31347289 0.81 MAPT (0.46) MAPTGPR35CYP2C9ALDH1A1LMNA
SCHEMBL30413667 0.78 MAPT (0.43) MAPTGPR35CYP2C19ALDH1A1LMNA
SCHEMBL26133607 0.78 MAPT (0.43) MAPTGPR35CYP2C19ALDH1A1LMNA
SCHEMBL11815551 0.77 MAPT (0.49) MAPTCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL7682478 0.73 MAPT (0.40) MAPTGPR35CYP2C9CYP2C19ALDH1A1
SCHEMBL7496361 0.73 MAPT (0.49) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL2419741 0.72 MAPT (0.38) MAPTGAAKDM4E
SCHEMBL7493425 0.70 MAPT (0.46) MAPT
SCHEMBL2586421 0.69 MAPT (0.41) MAPTGPR35CYP2C9ALDH1A1HIF1A
SCHEMBL2402284 0.69 MAPT (0.41) MAPTGPR35ALDH1A1LMNAGAA

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 MAPT 4763/4885GPR35 4459/4885CYP2C9 2699/4885

“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.