SCHEMBL1647440

SCHEMBL1647440

O=C(O)c1cc(Br)ccc1OCc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.62
TP53 P04637 1/20 0.59
HTT P42858 1/20 0.59
PTGER1 P34995 2/20 0.58
MRGPRX4 Q96LA9 2/20 0.58
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MCL1 Q07820 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SLC6A4 P31645 1/20 0.54
HTR6 P50406 1/20 0.54
FOLH1 Q04609 1/20 0.53
NR4A2 P43354 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC8 Q9BY41 2/20 0.52
FABP4 P15090 1/20 0.51
FABP5 Q01469 1/20 0.51
FFAR1 O14842 1/20 0.51

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
SCHEMBL1648024 0.88 LRRK2 (0.59) LRRK2TP53HTTPTGER1MRGPRX4
SCHEMBL3806442 0.87 MRGPRX4 (0.71) TP53HTTPTGER1MRGPRX4MCL1
SCHEMBL5839019 0.85 TP53 (0.56) LRRK2TP53HTTPTGER1MRGPRX4
SCHEMBL2292252 0.85 TP53 (0.62) LRRK2TP53HTTMRGPRX4MCL1
SCHEMBL1388155 0.84 HTT (0.77) TP53HTTMRGPRX4MCL1ALDH1A1
SCHEMBL1646922 0.83 LRRK2 (0.62) LRRK2HTTPTGER1MRGPRX4LMNA
SCHEMBL1647811 0.82 PTGER1 (0.60) LRRK2TP53HTTPTGER1MRGPRX4
SCHEMBL384896 0.81 FOLH1 (0.68) LRRK2PTGER1LMNAALDH1A1FOLH1
SCHEMBL1646750 0.80 ALDH1A1 (0.52) LRRK2MRGPRX4ALDH1A1FOLH1FFAR1
SCHEMBL1648231 0.78 LRRK2 (1.00) LRRK2

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 1/4885TP53 3344/4885HTT 110/4885

“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.