SCHEMBL1648397

SCHEMBL1648397

O=C(O)c1cc(Br)ccc1OCc1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.67
PTGER1 P34995 3/20 0.58
CCR5 P51681 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
MRGPRX4 Q96LA9 5/20 0.55
SLC6A4 P31645 3/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
HTR6 P50406 1/20 0.55
NR4A2 P43354 1/20 0.54
FOLH1 Q04609 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53

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
SCHEMBL3814086 0.90 PTGER1 (0.64) LRRK2PTGER1RXRARXRBRXRG
SCHEMBL1647430 0.88 LRRK2 (0.60) LRRK2PTGER1CCR5SLC6A4HTR2A
SCHEMBL384896 0.86 FOLH1 (0.68) LRRK2PTGER1FOLH1
SCHEMBL1388211 0.85 PTGER1 (0.60) PTGER1RXRARXRBRXRGMRGPRX4
SCHEMBL1647846 0.85 CCR5 (0.62) LRRK2PTGER1CCR5MRGPRX4FOLH1
SCHEMBL1647303 0.84 LRRK2 (0.67) LRRK2MRGPRX4SLC6A4HTR2CHTR6
SCHEMBL2282637 0.82 CCR5 (0.59) LRRK2CCR5SLC6A4HTR2AHTR2C
SCHEMBL1646693 0.82 LRRK2 (0.69) LRRK2PTGER1MRGPRX4FOLH1
SCHEMBL487486 0.81 PTGER1 (0.75) LRRK2PTGER1MRGPRX4FOLH1
SCHEMBL13802467 0.81 MEN1 (0.54) LRRK2PTGER1RXRARXRBRXRG

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 1/4885PTGER1 4278/4885CCR5 4017/4885

“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.