SCHEMBL1648024

SCHEMBL1648024

O=C(OCc1ccccc1Cl)c1cc(Br)ccc1OCc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.59
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
SLC6A4 P31645 1/20 0.51
HTR6 P50406 1/20 0.51
ALDH1A1 P00352 2/20 0.50
PTGER1 P34995 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
PTP4A3 O75365 1/20 0.47
DNMT1 P26358 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
SCHEMBL1647440 0.88 LRRK2 (0.62) LRRK2LMNASMN1; SMN2NPSR1SLC6A4
SCHEMBL1647367 0.85 LRRK2 (0.59) LRRK2LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1646919 0.84 PTGER1 (0.52) LRRK2SMN1; SMN2L3MBTL1ALDH1A1PTGER1
SCHEMBL1647309 0.81 ALDH1A1 (0.55) LRRK2CASP3SENP8SENP7SENP6
SCHEMBL552025 0.79 LRRK2 (0.57) LRRK2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL17494764 0.76 HPGD (0.56) CASP3SENP8SENP7SENP6LMNA
SCHEMBL1646798 0.76 CCR5 (0.58) LRRK2NPSR1L3MBTL1SLC6A4ALDH1A1
SCHEMBL1648028 0.76 MEN1 (0.52) LRRK2PTGER1MEN1KMT2A
SCHEMBL1647430 0.76 LRRK2 (0.60) LRRK2SLC6A4HTR6PTGER1MMP1
SCHEMBL3806442 0.76 MRGPRX4 (0.71) ALDH1A1PTGER1HTTTP53FABP4

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 1/4885CASP3 2564/4885SENP8 747/4885

“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.