SCHEMBL1648404

SCHEMBL1648404

COc1cccc(COC(=O)c2cc(Br)ccc2OCc2cccc(OC)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.62
MAOB P27338 3/20 0.53
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP12 P39900 2/20 0.51
PARP15 Q460N3 1/20 0.51
PTGER1 P34995 1/20 0.51
MTNR1A P48039 3/20 0.50
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL1646693 0.89 LRRK2 (0.69) LRRK2MAOBPARP15PTGER1MTNR1A
SCHEMBL1647292 0.86 LRRK2 (0.58) LRRK2MAOBPARP15PTGER1MTNR1A
SCHEMBL552025 0.83 LRRK2 (0.57) LRRK2ALDH1A1KDM4E
SCHEMBL1647430 0.83 LRRK2 (0.60) LRRK2MMP1MMP2MMP9MMP12
SCHEMBL1646587 0.83 LRRK2 (0.60) LRRK2MAOBMMP1MMP2MMP9
SCHEMBL1646579 0.81 LRRK2 (0.57) LRRK2MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL1647817 0.80 SLC6A4 (0.54) LRRK2MRGPRX4
SCHEMBL15994629 0.78 L3MBTL1 (0.54) LRRK2ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL5431545 0.77 LRRK2 (0.63) LRRK2ALDH1A1KDM4E
SCHEMBL8882254 0.77 KDM4E (0.53) MAOBMMP1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885MAOB 929/4885MMP1 4686/4885

“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.