SCHEMBL1646587

SCHEMBL1646587

O=C(OCc1cccc(F)c1)c1cc(Br)ccc1OCc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAOB P27338 1/20 0.52
SLC6A4 P31645 5/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
STAT1 P42224 1/20 0.52
RAB9A P51151 1/20 0.52
HTR6 P50406 1/20 0.52
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
HTR2C P28335 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL1647303 0.88 LRRK2 (0.67) LRRK2CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1648521 0.86 LRRK2 (0.56) LRRK2CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL552025 0.85 LRRK2 (0.57) LRRK2KDM4ELMNA
SCHEMBL1647430 0.85 LRRK2 (0.60) LRRK2SLC6A4HTR6MMP1MMP2
SCHEMBL1646590 0.84 LRRK2 (0.58) LRRK2MAOBSLC6A4LMNA
SCHEMBL1648404 0.83 LRRK2 (0.62) LRRK2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL1647817 0.82 SLC6A4 (0.54) LRRK2SLC6A4
SCHEMBL1646547 0.80 HTT (0.57) LRRK2MAPTKDM4ELMNA
SCHEMBL2284651 0.79 CYP1A2 (0.64) LRRK2CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1646798 0.78 CCR5 (0.58) LRRK2CYP1A2CYP3A4CYP2C9CYP2C19

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 1/4885CYP1A2 4626/4885CYP3A4 4694/4885

“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.