SCHEMBL3281348

SCHEMBL3281348

O=c1ccc2cc(Cl)cc(Br)c2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAOA P21397 2/20 0.50
GAA P10253 3/20 0.49
MGAM O43451 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
F12 P00748 8/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 3/20 0.43
MCL1 Q07820 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL6683335 0.81 GAA (0.52) MAOBMAOAGAAMGAMSI
SCHEMBL6226548 0.81 GPR35 (0.49) MAOBMAOAGAAMGAMSI
SCHEMBL10602195 0.79 GAA (0.46) MAOBMAOAGAAMGAMSI
SCHEMBL1561361 0.78 GAA (0.53) GAAMGAMSIMGAM2KDM4E
SCHEMBL6685604 0.78 GAA (0.49) MAOBMAOAGAAMGAMSI
SCHEMBL14199261 0.78 MAOB (0.53) MAOBMAOAGAAMGAMSI
SCHEMBL9227196 0.78 GAA (0.49) MAOBMAOAGAAMGAMSI
SCHEMBL28918552 0.77 GAA (0.45) MAOBMAOAGAAMGAMSI
SCHEMBL28918554 0.75 GAA (0.50) MAOAGAAMGAMSIMGAM2
SCHEMBL28918556 0.75 HSD17B10 (0.51) GAAMGAMSIMGAM2F12

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-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

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 MAOB 2498/4885MAOA 2135/4885GAA 507/4885

“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.