SCHEMBL1646958

SCHEMBL1646958

CN(C)C(=O)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.63
BRD4 O60885 1/20 0.62
FOLH1 Q04609 3/20 0.59
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
EGFR P00533 2/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SRC P12931 1/20 0.48
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RXRA P19793 2/20 0.48

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
SCHEMBL1648333 0.88 LRRK2 (0.62) LRRK2BRD4FOLH1KDM4EALDH1A1
SCHEMBL1649243 0.86 FOLH1 (0.68) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL131229 0.85 FOLH1 (0.63) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL28255803 0.83 LMNA (0.52) LRRK2BRD4FOLH1POLBNPC1
SCHEMBL29793644 0.83 LMNA (0.52) LRRK2BRD4FOLH1POLBNPC1
SCHEMBL383508 0.82 FOLH1 (0.60) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL551475 0.82 FOLH1 (0.60) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL31240780 0.81 BRD4 (0.66) LRRK2BRD4EGFRNPC1HPGD
SCHEMBL21775803 0.81 FOLH1 (0.62) LRRK2FOLH1KDM4EALDH1A1POLB
SCHEMBL4295650 0.81 FOLH1 (0.62) FOLH1KDM4EALDH1A1POLBL3MBTL1

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 1/4885BRD4 675/4885FOLH1 4250/4885

“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.